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Pravindra Kumar
Professor
pravindra.kumar[at]bt.iitr.ac.in
91-1332-285072
https://www.iitr.ac.in/mculaboratory/index.html
Research Interests

Biosketch
Educational Details
Professional Background

Research
Projects
Publications
Patents
Books
Collaborations

Honours and Awards
Honors
Memberships

Teaching Engagements
Teaching Engagements

Students
Supervisions
Associate Scholars

Miscellaneous
Events
Visits
Administrative Positions
Miscellaneous
Research Interests
Structural Biology and Bioinformatics, Enzyme Engineering, Biodegradation of Plastics and Plasticizers, Development of Novel Biocatalysts, Therapeutics Targeting Infectious Diseases
BioSketch
Educational Details
All India Institute of Medical Sciences- New Delhi
2001
Ph.D., Biophysics (Structural Biology)
C.C.S. University, Meerut
1995
M.Sc., Physics (Electronics)
Professional Background
Ashok Soota Chair Professor
05 Apr 2023 - 04 Apr 2026
IIT Roorkee
Professor
18 Dec 2018 - Present
IIT Roorkee
ASM Visiting Professor
24 May 2017 - 10 Jul 2017
Purdue University, West Lafayette-IN-USA
Associate Professor
22 Oct 2012 - 18 Dec 2018
IIT Roorkee
Boyscast Fellow
13 May 2008 - 16 Sep 2008
Purdue University, West Lafayette-IN-USA
Visiting Scientist
17 May 2006 - 09 Aug 2006
Purdue University USA
Assistant Professor
23 Nov 2005 - 22 Oct 2013
IIT Roorkee
Post-Doctoral Research Associate
11 Dec 2001 - 21 Nov 2005
Purdue University (U.S.A.)
Senior Demonstrator
19 Sep 2006 - 18 Sep 2009
All India Institute of Medical Sciences
Research
Projects
TOPIC START DATE FIELD DESCRIPTION FINANCIAL OUTLAY FUNDING AGENCY OTHER OFFICERS
Structural analysis of Deoxyhypusine Hydroxylase (DOHH) and anti-parasitic drug design 04 Jul 2023 Structure based drug discovery 49 lacs ICMR
Translational and structural bioinformatics - BIC 29 Mar 2021 Bioinfromatics 188.36 Lacs DBT Prof. A.K. Sharma, Prof. Shailly Tomar, Prof. Saugata Hazra, Prof. Deepak Sharma, Prof. Jitin SIngla
STRUCTURAL STUDIES OF METHICILLIN RESISTANCE FACTOR (FMTA) FROM STAPHYLOCOCUS AUREUS AND IN-SILICO INHIBITOR DESIGNING 18 Dec 2019 Structure based drug design 23 lacs CSIR
ENZYME ENGINEERING FOR BIO DEGRADATION OF PLASTICIZERS IN PPCPs 03 Sep 2020 Bioremediation 44 lacs DST
DISCOVERY OF STRUCTURE BASED ANTIVIRUS SARS-COV2 TARGETING KEY VIRAL GENOME REPLICATION ENZYMES 01 Aug 2020 Structure based drug design 68 lacs SERB
STRUCTURAL CHARACTERIZATION OF ENZYMES FROM SHIKIMATE PATHWAY FOR DESIGNING RATIONAL INHIBITORS AS ANTIMICROBIAL MOLECULES 01 Jul 2019 Structure based drug design 25 lacs SERB
STRUCTURAL CHARACTERIZATION OF TRANSCRIPTION FACTOR CRA, INFLUENCING THE VIRULENCE IN HOST CELL 17 Jul 2019 STRUCTURE BASED DRUG DESIGN 50 LACS ICMR
STRUCTURAL CHARACTERIZATION OF DYE-DECOIORIZING PEROXIDASE 01 Jan 2017 Bioremediation 40 lacs DBT
REMOVAL OF PATHOGENIC BACTERIA FROM CONTAMINATED WATER USING BACTERIOPHAGE 01 Feb 2018 Bioremediation 8 lacs Industry
Studies on Phthalate dioxygenase 01 Jan 2017 Studies on Phthalate dioxygenase 15 Lacs National bioscience award, DBT
Structural characterization of FabI 01 Jan 2016 Structural characterization of FabI 46 LACS ICMR
Str. studies on MurA enzyme 01 Jan 2017 Str. studies on MurA enzyme 10 Lacs DRDO
Structural studies on 11S globulin 01 Jan 2015 Structural studies on 11S globulin 26 LACS DBT
Microbial degradation of toxic aromatic compounds using structural biology approach 01 Jan 2012 Microbial degradation of toxic aromatic compounds using structural biology approach 42.0 DRDO
Structural studies of chorismate synthase 01 Jan 2013 Structural studies of chorismate synthase 23 LACS CSIR
Structure-based development of anti-bacterial enzyme inhibitors against enzyme involved in lipooligo 01 Jan 2012 Structure-based development of anti-bacterial enzyme inhibitors against enzyme involved in lipooligo 38.0 LACS ICMR
Structural studies of biphenyl dehydrogenase from Comamonas testosteroni strain B-356 01 Jan 2011 Structural studies of biphenyl dehydrogenase from Comamonas testosteroni strain B-356 10.7 LACS CSIR
Structural analysis of DAHP synthase from Arabidopsis thaliana 01 Jan 2013 Structural analysis of DAHP synthase from Arabidopsis thaliana 30.0 lacs DST
Structural Characterization Of DAHP Synthase For Designing Rational Inhibitors As Antibact. Drug 01 Jan 2011 Structural Characterization Of DAHP Synthase For Designing Rational Inhibitors As Antibact. Drug 9.6 MHRD
Structural Studies of Aromatic-ring-Hydroxylating Dioxygenasees and their complexes with toxic Polya 01 Jan 2006 Structural Studies of Aromatic-ring-Hydroxylating Dioxygenasees and their complexes with toxic Polya 11.16 lacs DST NIL




Publications
Structural Insights into Dihydroxylation of Terephthalate, a Product of Polyethylene Terephthalate Degradation
2022
Mahto, J. K., Neetu, N., Sharma, M., Dubey, M., Vellanki, B. P., & Kumar, P. | American Society for Microbiology
Journal: Journal of Bacteriology Pages: 543 , Volumes: 204 ,
Drug-Repurposing Approach To Combat Staphylococcus aureus: Biomolecular and Binding Interaction Study
2022
Singh, V., Dhankhar, P., Dalal, V., Tomar, S., Golemi-Kotra, D., & Kumar, P. | ACS Publications
Journal: ACS Omega Pages: 38448–38458 , Volumes: 7(43) ,
Structural insights at acidic pH of Dye-decolorizing peroxidase from Bacillus subtilis. Proteins
2022
Dhankhar, P., Dalal, V., Sharma, A. K., & Kumar, P. | Wiley
Journal: Proteins
Crystal structure and molecular characterization of NADP+-farnesol dehydrogenase from cotton bollworm, Helicoverpaarmigera
2022
Kumar, R., Das, J., Mahto, J. K., Sharma, M., Vivek, S., Kumar, P., & Sharma, A. K. | Elsevier
Journal: Insect biochemistry and molecular biology Pages: 103812 , Volumes: 147 ,
Alphavirus antivirals targeting RNA-dependent RNA polymerase domain of nsP4 divulged using surface plasmon resonance
2022
Pareek, A., Kumar, R., Mudgal, R., Neetu, N., Sharma, M., Kumar, P., & Tomar, S. | John Wiley & Sons
Journal: The FEBS journal Pages: 4901- 4924 , Volumes: 289(16) ,
Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol
2022
Katiki, M., Neetu, N., Pratap, S., & Kumar, P. | Elsevier
Journal: Biochimie Pages: 8–22 , Volumes: 198 ,
Computational guided identification of novel potent inhibitors of N-terminal domain of nucleocapsid protein of severe acute respiratory syndrome coronavirus 2
2022
Dhankhar, P., Dalal, V., Singh, V., Tomar, S., & Kumar, P. | Taylor & Francis
Journal: Journal of biomolecular structure & dynamics Pages: 4084-4099 , Volumes: 40(9) ,
In-silico functional and structural annotation of hypothetical protein from Klebsiella pneumonia: A potential drug target
2022
Singh, V., Dhankhar, P., Dalal, V., Tomar, S., & Kumar, P. | Elsevier
Journal: Journal of molecular graphics & modelling Pages: 108262 , Volumes: 116 ,
Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase
2022
Mahto, J. K., Sharma, M., Neetu, N., Kayastha, A., Aggarwal, S., & Kumar, P. | Elsevier
Journal: Archives of biochemistry and biophysics Pages: 109314 , Volumes: 727 ,
Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni
2021
Mahto, J.K., Neetu, N., Waghmode, B., Kuatsjah, E., Sharma, M., Sircar, D., Sharma, A.K., Tomar, S., Eltis, L.D. and Kumar, P | American Society for Biochemistry and Molecular Biology
Journal: Journal of Biological Chemistry Pages: 101416 , Volumes: 297(6) ,
Deciphering the enigma of missing DNA binding domain of LacI family transcription factors
2021
Neetu, N., Katiki, M., Mahto, J.K., Sharma, M., Narayanan, A., Maity, S., Tomar, S., Ambatipudi, K., Sharma, A.K., Yernool, D. and Kumar, P | Elsevier
Journal: Archives of Biochemistry and Biophysics Pages: 109060 , Volumes: 713 ,
Chikungunya virus titration, detection and diagnosis using N-Acetylglucosamine (GlcNAc) specific lectin based virus capture assay
2021
Choudhary, S., Neetu, N., Singh, V.A., Kumar, P., Chaudhary, M. and Tomar, S | Elsevier
Journal: Virus Research Pages: 198493 , Volumes: 302 ,
Multifunctional Inhibitors of SARS CoV2 by MM/PBSA, Essential dynamics, and Molecular dynamic investigations
2021
Kumar, K.A., Sharma, M., Dalal, V., Singh, V., Tomar, S. and Kumar, P., | Elsevier
Journal: Journal of Molecular Graphics and Modelling Pages: 107969 , Volumes: 107 ,
MD simulation and MM/PBSA identifies phytochemicals as bifunctional inhibitors of SARS-CoV-2
2021
Sharma, M., Mahto, J.K., Dhaka, P., Neetu, N., Tomar, S. and Kumar, P. | Taylor & Francis
Journal: Journal of Biomolecular Structure and Dynamics Pages: 1-14. ,
Structure-based identification of potential drugs against FmtA of Staphylococcus aureus: Virtual screening, molecular dynamics, MM-GBSA, and QM/MM
2021
Dalal, V., Dhankhar, P., Singh, V., Rakhaminov, G., Golemi-Kotra, D. and Kumar, P | Wiley
Journal: The Protein Journal Pages: 165 , Volumes: 148 ,
In-silico screening and identification of potential inhibitors against 2Cys peroxiredoxin of Candidatus Liberibacter asiaticus
2021
Gupta, D.N., Dalal, V., Savita, B.K., Dhankhar, P., Ghosh, D.K., Kumar, P. and Sharma, A.K | Taylor & Francis
Journal: Journal of Biomolecular Structure and Dynamics Pages: 1-15. ,
A molecular docking and dynamic approach to screen inhibitors against ZnuA1 of Candidatus Liberibacter asiaticus
2021
Saini, G., Dalal, V., Gupta, D.N., Sharma, N., Kumar, P. and Sharma, A.K | Taylor & Francis
Journal: Molecular Simulation Pages: 510-525 , Volumes: 47(6) ,
Multifunctional Inhibitors of SARS CoV2 by MM/PBSA, Essential dynamics, and Molecular dynamic investigations
2021
Kumar, K.A., Sharma, M., Dalal, V., Singh, V., Tomar, S. and Kumar, P. | Elsevier
Journal: Journal of Molecular Graphics and Modelling Pages: 107 , Volumes: 107969 ,
Structural and biochemical analyses reveal that chlorogenic acid inhibits the shikimate pathway
2020
Neetu, N., Katiki, M., Dev, A., Gaur, S., Tomar, S. and Kumar, P. | American Society for Microbiology
Journal: Journal of Bacteriology Pages: pp.e00248-20 , Volumes: 202(18) ,
Computational guided identification of novel potent inhibitors of N-terminal domain of nucleocapsid protein of severe acute respiratory syndrome coronavirus 2
2020
Dhankhar, P., Dalal, V., Singh, V., Tomar, S. and Kumar, P | Taylor & Francis
Journal: Journal of Biomolecular Structure and Dynamics Pages: 4084–4099 , Volumes: 40(9) ,
Characterization of dye-decolorizing peroxidase from Bacillus subtilis
2020
Dhankhar, P., Dalal, V., Mahto, J.K., Gurjar, B.R., Tomar, S., Sharma, A.K. and Kumar, P | Taylor & Francis
Journal: Journal of Biomolecular Structure and Dynamics Pages: 108590 , Volumes: 693 ,
Biophysical and In-Silico Studies of Phytochemicals Targeting Chorismate Synthase from Drug-Resistant Moraxella Catarrhalis.
2020
Neetu, N., Sharma, M., Mahto, J.K. and Kumar, P. | Wiley
Journal: The Protein Journal Pages: 449-460 , Volumes: 39 ,
In-silico approach to identify novel potent inhibitors against GraR of S. aureus
2020
Dhankhar, P., Dalal, V., Kotra, D.G. and Kumar, P | Frontiers in Bioscience
Journal: Frontiers in Bioscience Pages: 1337-1360 , Volumes: 25 ,
Characterization of the heavy metal binding properties of periplasmic metal uptake protein CLas-ZnuA2
2020
Kumar, P., Dalal, V., Sharma, N., Kokane, S., Ghosh, D.K., Kumar, P. and Sharma, A.K | Oxford University Press
Journal: Metallomics
Mutation studies and structure-based identification of potential inhibitor molecules against periplasmic amino acid binding protein of Candidatus Liberibacter asiaticus (CLasTcyA)
2020
Kumar, P., Dalal, V., Kokane, A., Singh, S., Lonare, S., Kaur, H., Ghosh, D.K., Kumar, P. and Sharma, A.K. | Elsevier
Journal: International journal of biological macromolecules Pages: 1228-1238 , Volumes: 147 ,
Molecular docking and simulation analysis for elucidation of toxic effects of dicyclohexyl phthalate (DCHP) in glucocorticoid receptor-mediated adipogenesis
2020
Singh, N., Dalal, V. and Kumar, P. | Taylor & Francis
Journal: Molecular Simulation Pages: pp.9-21 , Volumes: 46(1) ,
Antagonistic interaction between TTA-A2 and paclitaxel for anti-cancer effects by complex formation with T-type calcium channel
2020
Kumari, N., Dalal, V., Kumar, P. and Rath, S.N. | Taylor & Francis
Journal: Journal of Biomolecular Structure and Dynamics Pages: pp.1-12 ,
Mutation studies and structure-based identification of potential inhibitor molecules against periplasmic amino acid binding protein of Candidatus Liberibacter asiaticus (CLasTcyA)
2020
Kumar, P., Dalal, V., Kokane, A., Singh, S., Lonare, S., Kaur, H., Ghosh, D.K., Kumar, P. and Sharma, A.K. | Elsevier
Journal: International journal of biological macromolecules Pages: pp.1228-1238 , Volumes: 147 ,
Repurposing an ancient protein core structure: Structural studies on FmtA, a novel esterase of Staphylococcus aureus
2019
Dalal, V., Kumar, P., Rakhaminov, G., Qamar, A., Fan, X., Hunter, H., Tomar, S., Golemi-Kotra, D. and Kumar, P. | Elsevier
Journal: Journal of molecular biology Pages: pp.3107-3123 , Volumes: 431(17) ,
Glycan-dependent chikungunya viral infection divulged by antiviral activity of NAG specific chi-like lectin
2019
Kaur, R., Mudgal, R., Jose, J., Kumar, P. and Tomar, S. | Elsevier
Journal: Virology Pages: pp.91-98 , Volumes: 526 ,
Molecular docking and dynamic approach to virtual screen inhibitors against Esbp of Candidatus Liberibacter asiaticus
2019
Saini, G., Dalal, V., Savita, B.K., Sharma, N., Kumar, P. and Sharma, A.K. | Elsevier
Journal: Journal of Molecular Graphics and Modelling Pages: pp.329-340 , Volumes: 92 ,
Characterization of phthalate reductase from Ralstonia eutropha CH34 and in silico study of phthalate dioxygenase and phthalate reductase interaction
2019
Singh, N., Dalal, V., Kumar, V., Sharma, M. and Kumar, P. | Elsevier
Journal: Journal of Molecular Graphics and Modelling Pages: pp.161-170 , Volumes: 90 ,
Crystal structures of a putative periplasmic cystine?binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding
2019
Kumar, P., Kesari, P., Kokane, S., Ghosh, D.K., Kumar, P. and Sharma, A.K. | John Wiley & Sons
Journal: The FEBS journal Pages: pp.3450-3472 , Volumes: 286(17) ,
Characterization of isoflavonoids as inhibitors of ?-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Moraxella catarrhalis: Kinetics, spectroscopic, thermodynamics and in silico studies.
2018
Kumar, V., Sharma, A., Pratap, S. and Kumar, P | Elsevier
Journal: Biochimica et Biophysica Acta (BBA)-General Subjects, Pages: pp.726-744. , Volumes: 1862(3) ,
Structure-function insights into chikungunya virus capsid protein: small molecules targeting capsid hydrophobic pocket.
2018
Sharma, R., Kesari, P., Kumar, P. and Tomar, S | Elsevier
Journal: Virology Pages: pp.223-234 , Volumes: 515 ,
Characterization of isoflavonoids as inhibitors of ?-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Moraxella catarrhalis: Kinetics, spectroscopic, thermodynamics and in silico studies.
2018
Kumar, V., Sharma, A., Pratap, S. and Kumar, P | Elsevier
Journal: Biochimica et Biophysica Acta (BBA)-General Subjects, Pages: pp.726-744 , Volumes: 1862(3) ,
Biophysical and in silico interaction studies of aporphine alkaloids with Malonyl-CoA: ACP transacylase (FabD) from drug resistant Moraxella catarrhalis
2018
Kumar, V., Sharma, A., Pratap, S. and Kumar, P. | Elsevier
Journal: Biochimie Pages: pp. 18-33 , Volumes: 149 ,
Biochemical and biophysical characterization of 1, 4-naphthoquinone as a dual inhibitor of two key enzymes of type II fatty acid biosynthesis from Moraxella catarrhalis. Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics
2018
Kumar, V., Sharma, A., Pratap, S. and Kumar, P. | Elsevier
Journal: Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics Pages: pp.1131-1142 , Volumes: 1866(11) ,
Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site
2018
Narwal, M., Singh, H., Pratap, S., Malik, A., Kuhn, R.J., Kumar, P. and Tomar, S. | Elsevier
Journal: International journal of biological macromolecules Pages: pp.451-462 , Volumes: 116 ,
The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
2018
Saini, G., Sharma, N., Dalal, V., Warghane, A., Ghosh, D.K., Kumar, P. and Sharma, A.K | Elsevier
Journal: Journal of structural biology Pages: pp.228-239. , Volumes: 149 ,
Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway
2018
Singh, N., Dalal, V. and Kumar, P | Elsevier
Journal: . International journal of biological macromolecules Pages: pp.214-224 , Volumes: 108 ,
The inhibitory and binding studies of methyl-sulfone hydroxamate based inhibitors against LpxC from drug resistant Moraxella catarrhalis using biophysical, biochemical and in silico approaches
2018
Sharma, A., Kumar, V., Pratap, S. and Kumar, P., | Elsevier
Journal: International journal of biological macromolecules Pages: pp.1747-1762 , Volumes: 118 ,
Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway.
2018
Singh, N., Dalal, V. and Kumar, P | Elsevier
Journal: International journal of biological macromolecules, Pages: pp.214-224 , Volumes: 108 ,
Biodegradation of phthalic acid esters (PAEs) and in silico structural characterization of mono-2-ethylhexyl phthalate (MEHP) hydrolase on the basis of close structural homolog
2017
Singh, N., Dalal, V., Mahto, J.K. and Kumar, P. | Elsevier
Journal: Journal of hazardous materials Pages: pp-11-22 , Volumes: 338 ,
Evaluation of antiviral activity of piperazine against chikungunya virus targeting hydrophobic pocket of alphavirus capsid protein
2017
Aggarwal, M., Kaur, R., Saha, A., Mudgal, R., Yadav, R., Dash, P.K., Parida, M., Kumar, P. and Tomar, S., | Elsevier
Journal: Antiviral research Pages: pp.102-111 , Volumes: 146 ,
Structure of chorismate mutase-like domain of DAHPS from Bacillus subtilis complexed with novel inhibitor reveals conformational plasticity of active site
2017
Pratap, S., Dev, A., Kumar, V., Yadav, R., Narwal, M., Tomar, S. and Kumar, P | Nature Publishing Group
Journal: Scientific reports Pages: pp.1-15 , Volumes: 7(1) ,
A novel function for globulin in sequestering plant hormone: crystal structure of Wrightia tinctoria 11S globulin in complex with auxin
2017
Kumar, P., Kesari, P., Dhindwal, S., Choudhary, A.K., Katiki, M., Verma, A., Ambatipudi, K., Tomar, S., Sharma, A.K., Mishra, G. and Kumar, P | Nature Publishing Group
Journal: Scientific reports Pages: PP.1-11 , Volumes: 7(1) ,
Structural, functional and evolutionary aspects of seed globulins
2017
Kesari, P., Sharma, A., Katiki, M., Kumar, P., R Gurjar, B., Tomar, S., K Sharma, A. and Kumar, P | Bentham Science
Journal: Protein and peptide letters Pages: pp.267-277 , Volumes: 24(3) ,
Purification and Characterization of 2S albumin from seeds of Wrightia tinctoria exhibiting Antibacterial and DNase Activity.
2017
Sharma, A., Kumar, P., Kesari, P., Katiki, M., Mishra, M., K Singh, P., R Gurjar, B., K Sharma, A., Tomar, S. and Kumar, P | Bentham Science
Journal: Protein and peptide letters Pages: pp.368-378 , Volumes: 24(4) ,
Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies
2017
Pratap, S., Kesari, P., Yadav, R., Dev, A., Narwal, M. and Kumar, P., | Elsevier
Journal: International journal of biological macromolecules Pages: pp.759-765 , Volumes: 96 ,
Conformer and pharmacophore based identification of peptidomimetic inhibitors of chikungunya virus nsP2 protease
2017
Dhindwal, S., Kesari, P., Singh, H., Kumar, P. and Tomar, S., | Taylor & Francis
Journal: Journal of Biomolecular Structure and Dynamics Pages: pp.3522-3539 , Volumes: 35(16) ,
Structural and functional significance of the N-and C-terminal appendages in Arabidopsis truncated hemoglobin.
2016
Mukhi, N., Dhindwal, S., Uppal, S., Kapoor, A., Arya, R., Kumar, P., Kaur, J. and Kundu, S. | ACS Publications
Journal: Biochemistry Pages: pp.1724-1740 , Volumes: 55(12) ,
Structural and functional significance of the N-and C-terminal appendages in Arabidopsis truncated hemoglobin
2016
Mukhi, N., Dhindwal, S., Uppal, S., Kapoor, A., Arya, R., Kumar, P., Kaur, J. and Kundu, S | ACS Publications
Journal: Biochemistry Pages: pp.1724-1740 , Volumes: 55(12) ,
Structural basis of the enhanced pollutant-degrading capabilities of an engineered biphenyl dioxygenase
2016
Dhindwal, S., Gomez-Gil, L., Neau, D.B., Pham, T.T.M., Sylvestre, M., Eltis, L.D., Bolin, J.T. and Kumar, P | American Society for Microbiology
Journal: Journal of bacteriology Pages: pp.759-765 , Volumes: 198(10) ,
Inhibition of chikungunya virus by picolinate that targets viral capsid protein
2016
Sharma, R., Fatma, B., Saha, A., Bajpai, S., Sistla, S., Dash, P.K., Parida, M., Kumar, P. and Tomar, S | Elsevier
Journal: Virology Pages: pp.265-276 , Volumes: 498 ,
Crystal structure of pentapeptide-independent chemotaxis receptor methyltransferase (CheR) reveals idiosyncratic structural determinants for receptor recognition.
2016
Batra, M., Sharma, R., Malik, A., Dhindwal, S., Kumar, P. and Tomar, S | Elsevier
Journal: Journal of structural biology Pages: pp.364-374 , Volumes: 196(3) ,
Characterization of substrate binding and enzymatic removal of a 3-methyladenine lesion from genomic DNA with TAG of MDR A. baumannii
2016
Tomar, J.S., Narwal, M., Kumar, P. and Peddinti, R.K., | Royal Society of Chemistry
Journal: Molecular BioSystems Pages: pp.3259-3265 , Volumes: 12(11) ,
Active-site plasticity is essential to carbapenem hydrolysis by OXA-58 class D ?-lactamase of Acinetobacter baumannii.
2015
Pratap, S., Katiki, M., Gill, P., Kumar, P. and Golemi-Kotra, D | American Society for Microbiology
Journal: Antimicrobial agents and chemotherapy Pages: pp.75-86 , Volumes: 60(1) ,
Ligand-bound structures of 3-deoxy-d-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis reveal a water channel connecting to the active site for the second step of catalysis
2015
Dhindwal, S., Priyadarshini, P., Patil, D.N., Tapas, S., Kumar, P. and Tomar, S. | IUCr
Journal: Acta Crystallographica Section D: Biological Crystallography Pages: pp.239-255 , Volumes: 71(2) ,
Crystal structure of a periplasmic solute binding protein in metal-free, intermediate and metal-bound states from Candidatus Liberibacter asiaticus
2015
Sharma, N., Selvakumar, P., Bhose, S., Ghosh, D.K., Kumar, P. and Sharma, A.K., | Elsevier
Journal: Journal of structural biology Pages: PP.184-194 , Volumes: 189(3) ,
Structural and functional evolution of chitinase?like proteins from plants
2015
Kesari, P., Patil, D.N., Kumar, P., Tomar, S., Sharma, A.K. and Kumar, P. | Wiley
Journal: Proteomics Pages: pp.1693-1705 , Volumes: 15(10) ,
trans-Protease activity and structural insights into the active form of the alphavirus capsid protease
2014
Aggarwal, M., Dhindwal, S., Kumar, P., Kuhn, R.J. and Tomar, S. | American Society for Microbiology
Journal: Journal of virology Pages: pp.12242-12253 , Volumes: 88(21) ,
Structural insights into the aggregation behavior of Murraya koenigii miraculin?like protein below
2014
Selvakumar, P., Sharma, N., Tomar, P.P.S., Kumar, P. and Sharma, A.K. | Wiley
Journal: Proteins: Structure, Function, and Bioinformatics Pages: pp.830-840 , Volumes: 82(5) ,
Structural characterization of Pandoraea pnomenusa B-356 biphenyl dioxygenase reveals features of potent polychlorinated biphenyl-degrading enzymes.
2013
Colbert, C.L., Agar, N.Y., Kumar, P., Chakko, M.N., Sinha, S.C., Powlowski, J.B., Eltis, L.D. and Bolin, J.T., | PLOS
Journal: PLoS One Pages: pp.52550 , Volumes: 8(1) ,
Structural investigation of a novel N-acetyl glucosamine binding chi-lectin which reveals evolutionary relationship with class III chitinases
2013
Patil, D.N., Datta, M., Dev, A., Dhindwal, S., Singh, N., Dasauni, P., Kundu, S., Sharma, A.K., Tomar, S. and Kumar, P., | PLOS
Journal: PLoS One Pages: p.E63779 , Volumes: 8(5) ,
Structural insight into DFMO resistant ornithine decarboxylase from Entamoeba histolytica: an inkling to adaptive evolution
2013
Tapas, S., Kumar, P., Madhubala, R. and Tomar, S. | PLOS
Journal: PloS one Pages: p.e53397 , Volumes: 8(1) ,
X-ray crystallographic structural characteristics of Arabidopsis hemoglobin I and their functional implications
2013
Mukhi, N., Dhindwal, S., Uppal, S., Kumar, P., Kaur, J. and Kundu, S. | Elsevier
Journal: Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics, Pages: PP.1944-1956 , Volumes: 1834(9) ,
Purification and biophysical characterization of an 11S globulin from Wrightia tinctoria exhibiting hemagglutinating activity
2013
Kumar, P., N Patil, D., Chaudhary, A., Tomar, S., Yernool, D., Singh, N., Dasauni, P., Kundu, S. and Kumar, P. | Bentham Science
Journal: Protein and peptide letters Pages: pp.499-509 , Volumes: 20(5) ,
Crystal structure of aura virus capsid protease and its complex with dioxane: new insights into capsid-glycoprotein molecular contacts
2012
Aggarwal, M., Tapas, S., Siwach, A., Kumar, P., Kuhn, R.J. and Tomar, S., | PLOS
Journal: PLoS One Pages: p.e51288 , Volumes: 7(12) ,
Structural basis for dual inhibitory role of tamarind K unitz inhibitor (TKI) against factor X a and trypsin.
2012
Patil, D.N., Chaudhary, A., Sharma, A.K., Tomar, S. and Kumar, P. | John Wiley & Sons
Journal: The FEBS journal Pages: pp.4547-4564 , Volumes: 279(24) ,
Structural insights into the metabolism of 2-chlorodibenzofuran by an evolved biphenyl dioxygenase
2012
Kumar, P., Mohammadi, M., Dhindwal, S., Pham, T.T.M., Bolin, J.T. and Sylvestre, M. | Elsevier
Journal: Biochemical and biophysical research communications Pages: pp.757-762 , Volumes: 421(4) ,
Biochemical, mutational and in silico structural evidence for a functional dimeric form of the ornithine decarboxylase from Entamoeba histolytica
2012
Tapas, S., Kumar, P., Madhubala, R. and Tomar, S. | PLOS
Journal: PLoS Negl Trop Dis Pages: Pe.1559 , Volumes: 6(2) ,
Structure-function studies of DNA binding domain of response regulator KdpE reveals equal affinity interactions at DNA half-sites.
2012
Narayanan, A., Paul, L.N., Tomar, S., Patil, D.N., Kumar, P. and Yernool, D.A., | PLOS
Journal: PloS one Pages: p.e30102 , Volumes: 7(1) ,
An insilico approach to structural elucidation of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Arabidopsis thaliana: Hints for herbicide design.
2012
Bhattacharya, S. and Kumar, P. | Elsevier
Journal: Phytochemistry Pages: pp.7-14 , Volumes: 73 ,
Fine tuning Rieske-type oxygenases to expand substrate range
2011
Mohammadi, M., Viger, J.F., Kumar, P., Barriault, D., Bolin, J.T. and Sylvestre, M. | American Society for Biochemistry and Molecular Biology
Journal: Journal of Biological Chemistry Pages: pp.27612-27621 , Volumes: 286(31) ,
Biochemical studies and ligand-bound structures of biphenyl dehydrogenase from Pandoraea pnomenusa strain B-356 reveal a basis for broad specificity of the enzyme.
2011
Dhindwal, S., Patil, D.N., Mohammadi, M., Sylvestre, M., Tomar, S. and Kumar, P. | American Society for Biochemistry and Molecular Biology
Journal: Journal of Biological Chemistry Pages: PP.37011-37022 , Volumes: 286(42) ,
Structural insight into the expanded PCB-degrading abilities of a biphenyl dioxygenase obtained by directed evolution
2011
Kumar, P., Mohammadi, M., Viger, J.F., Barriault, D., Gomez-Gil, L., Eltis, L.D., Bolin, J.T. and Sylvestre, M. | Elsevier
Journal: Journal of molecular biology Pages: pp.531-547 , Volumes: 405(2) ,
Structural analysis of chorismate synthase from Plasmodium falciparum: a novel target for antimalaria drug discovery
2011
Tapas, S., Kumar, A., Dhindwal, S. and Kumar, P. | Elsevier
Journal: International journal of biological macromolecules Pages: pp.767-777 , Volumes: 49(4) ,
Anaerobic crystallization and initial X-ray diffraction data of biphenyl 2, 3-dioxygenase from Burkholderia xenovorans LB400: addition of agarose improved the quality of the crystals
2011
Kumar, P., Gómez-Gil, L., Mohammadi, M., Sylvestre, M., Eltis, L.D. and Bolin, J.T. | IUCr
Journal: Acta Crystallographica Section F: Structural Biology and Crystallization Communications Pages: pp.59-63 , Volumes: 67(1) ,
Cloning, sequence analysis and crystal structure determination of a miraculin-like protein from Murraya koenigii
2010
Gahloth, D., Selvakumar, P., Shee, C., Kumar, P. and Sharma, A.K., | Elsevier
Journal: Archives of biochemistry and biophysics Pages: pp.15-22 , Volumes: 494(1) ,
. Expression, purification, crystallization and preliminary crystallographic studies of cis-biphenyl-2, 3-dihydrodiol-2, 3-dehydrogenase from Pandoraea pnomenusa B-356.
2010
Patil, D.N., Tomar, S., Sylvestre, M. and Kumar, P., | IUCr
Journal: Acta Crystallographica Section F: Structural Biology and Crystallization Communications Pages: pp.1517-1520 , Volumes: 66(11) ,
Crystallization and preliminary X-ray diffraction analysis of the complex of Kunitz-type tamarind trypsin inhibitor and porcine pancreatic trypsin.
2009
Tomar, S., Patil, D.N., Datta, M., Tapas, S., Chaudhary, A., Sharma, A.K. and Kumar, P. | IUCr
Journal: Acta Crystallographica Section F: Structural Biology and Crystallization Communications Pages: pp.1179-1181 , Volumes: 65(11) ,
Isolation, purification, crystallization and preliminary crystallographic studies of chitinase from tamarind (Tamarindus indica) seeds
2009
Patil, D.N., Datta, M., Chaudhary, A., Tomar, S., Kumar Sharma, A. and Kumar, P. | IUCr
Journal: Acta Crystallographica Section F: Structural Biology and Crystallization Communications, Pages: pp.343-345 , Volumes: 65(4) ,
Purification, crystallization and preliminary crystallographic studies of a Kunitz-type proteinase inhibitor from tamarind (Tamarindus indica) seeds.
2009
Patil, D.N., Chaudhry, A., Sharma, A.K., Tomar, S. and Kumar, P., | IUCr
Journal: Acta Crystallographica Section F: Structural Biology and Crystallization Communications Pages: pp.736-738 , Volumes: 65(7) ,
Purification and characterization of a trypsin inhibitor from Putranjiva roxburghii seeds.
2008
Chaudhary, N.S., Shee, C., Islam, A., Ahmad, F., Yernool, D., Kumar, P. and Sharma, A.K. | Elsevier
Journal: Phytochemistry Pages: pp.2120-2126 , Volumes: 69(11) ,
The tautomeric half-reaction of BphD, a CC bond hydrolase: kinetic and structural evidence supporting a key role for histidine 265 of the catalytic triad
2007
Horsman, G.P., Bhowmik, S., Seah, S.Y., Kumar, P., Bolin, J.T. and Eltis, L.D., | American Society for Biochemistry and Molecular Biology
Journal: Journal of Biological Chemistry Pages: pp.19894-19904 , Volumes: 282(27) ,
Characterization of biphenyl dioxygenase of Pandoraea pnomenusa B-356 as a potent polychlorinated biphenyl-degrading enzyme
2007
Gómez-Gil, L., Kumar, P., Barriault, D., Bolin, J.T., Sylvestre, M. and Eltis, L.D. | American Society for Microbiology
Journal: Journal of bacteriology Pages: pp.5705-5715 , Volumes: 189(15) ,
Books
Biodegradation And Bioremediation of the series  Env. Sci. & Engg.

Environmental Pollution:  Monitoring, Modeling and Control

 

Honors And Awards
Honors
The Biotech Research Society
2021
BRSI Fellow
American Society of Microbiology and INDO-US forum
2017
ASM- Professorship, 2017
DBT, Department of Science and Technology, Govt. of India
2015
National Bioscience Award
IUSSTF
2014
Indo-US grant by IUSSTF
Department of Science and Technology, Govt. of India
2008
BOYSCAST Fellowship
All India Institute of Medical Sciences (A.I.I.M.S.)
2001
Gold Medal for Best Ph.D. Award ( SV Talekar Award)
All India Institute of Medical Sciences
1999
Awarded the CSIR Senior Research fellowship
MemberShips
American Chemical Society
01 Jan 2020 - Present
Member
American Society of Microbiology
01 Jan 2017 - Present
MEMBER
Electron Microscope Society of India
01 Jan 2017 - Present
Member
Environment Mutagen Society of India
01 Jan 2015 - Present
Member
Bureau of Indian Standards
01 Jan 2015 - Present
Bureau Member
INDIAN CRYSTALLOGRAPHIC ASSOCIATION
01 Jan 2009 - Present
MEMBER
AMERICAN CRYSTALLOGRAPHIC ASSOCIATION
01 Jan 2003 - Present
MEMBER
Indian Biophysical Society
01 Jan 1997 - Present
Member
Teaching Engagements
Teaching Engagements
Structural Biology ( BT-204 )
Spring
Molecular Biophysics ( BTN-521 )
Spring
Structural Biology ( BT-632 )
Spring
Macromolecular Crystallography ( IBT02 )
Spring
Bioinformatics ( BT 217 )
Autumn
Bioinformatics ( BT 614 )
Spring
Macromolecular Crystallography ( IBT02 )
Autumn
Biochemistry ( BT106 )
Spring
Students
SuperVisions
Biochemical and structural studies on dehydrogenases of phthalate and isophthalate degradation pathways
07 Jul 2017 - 30 May 2022
Other Supervisors: , Scholar: Dr. Monica Sharma
Structural Studies of Drug Targets of Pathogens
16 Jul 2018 - 28 Jun 2023
Other Supervisors: , Scholar: Vishakha Singh
Studies on enzymes involved in plasticizers degradation
08 Jul 2016 - 12 May 2022
Other Supervisors: , Scholar: Dr. Jai Krishna Mahto
Biochemical and Structural characterization of DyP from Bacillus subtilis
08 Jul 2015 - 30 Mar 2021
Other Supervisors: , Scholar: Dr. Poonam Dhankhar
Structural characterization of Drug targets from Gram negative bacteria
08 Jul 2015 - 24 Feb 2021
Other Supervisors: , Scholar: Dr. Neetu
Structural studies of FmtA in Staphylococcus aureus
15 Jul 2016 - 01 Nov 2020
Other Supervisors: , Scholar: Dr. Vikram Dalal
Structural and biochemical characterization of protein drug targets from human pathogens
01 Jan 2012 - 01 Feb 2019
Other Supervisors: , Scholar: Dr. Madhusudhanarao Katiki
Structural and functional studies of plant proteins
01 Jan 2013 - 01 May 2016
Other Supervisors: , Scholar: Dr. Pooja Kesari
Structural Sudies Of Shikimate And Fatty Acid Biosynthesis Pathway’s Enzymes
01 Jan 2012 - 01 Aug 2016
Other Supervisors: , Scholar: Dr. Vijay Kumar
Xenobiotic Compounds Degradation And Their Effects On Important Enzymes
01 Jan 2012 - 01 May 2016
Other Supervisors: , Scholar: Dr. Neha Singh
Biophysical, Biochemical and Structural Characterization of Drug Targets from Bacteria
01 Jan 2012 - 01 Jan 2016
Other Supervisors: , Scholar: Dr. Anchal Sharma
Studies on peroxiredoxin anti-oxidant system from Candidatus liberibacter asiaticus
01 Jan 2009 - 01 Apr 2014
Other Supervisors: Dr. A. K. Sharma, Scholar: Dr. Anamika Singh
Structural studies of enzymes involved in bioremediation
01 Jan 2009 - 01 Jan 2014
Other Supervisors: Dr. S. Tomar, Scholar: Dr. Sonali Dhindwal
Structural studies of drug targets fromdrug resistant pathogenic bacteria
01 Jan 2008 - 01 Feb 2013
Other Supervisors: , Scholar: Dr. Shivendra Pratap
Structural studies on MurA and type II chorismate mutase
01 Jan 2008 - 01 Jan 2013
Other Supervisors: Prof. Shishir Sinha, Scholar: Dr. Aditya Dev
Structural studies on 11S globulin and 2S albumin from Wrightia tinctoria
01 Jan 2009 - 01 Jan 2013
Other Supervisors: Prof. B. R. Gurjar, Scholar: Dr. Pramod Kumar
Structure-function studies of Miraculin-like Proteins
01 Jan 2007 - 01 Jan 2014
Other Supervisors: Dr. A.K. Sharma, Scholar: Dr. P Selvakumar
Structural studies of trypsin inhibitor and its complex with trypsin and Factor Xa
01 Jan 2007 - 01 Jan 2013
Other Supervisors: nil, Scholar: Dr. Dipak N. Patil
Structural characterization of chitinase.
01 Jan 2006 - 01 Jan 2011
Other Supervisors: Dr. A.K. Sharma, Scholar: Dr. Manali Datta
Structural studies on some mettaloproteins: Biphenyl dioxygenase and Dahp synthase
01 Jan 2006 - 01 Dec 2009
Other Supervisors: , Scholar: Dr. Sushmita Bhattacharya
Associate Scholars
Mr. Ashok Soota
IIT Roorkee
Predictability and prevention of heart disease
Ms. Deeksha Chaudhary
IIT Roorkee
Structural studies of pan alpha and pan flavivirus
Ms. Sakshi Pandey
IIT Roorkee
Structural studies of bacteriophage and pan alpha and pan flavivirus
Mr. Dhruv Pahwa
IIT Roorkee
Structural studies of Bacteriophage
Ms. Anushka Upadhyay
IIT Roorkee
Structural studies of viral Proteins
Ms. Etisha Arun
IIT Roorkee
Structural studies of plant pathogens proteins
Ms. Ishani Mishra
IIT Roorkee
Structural studies of oxygenases
Mr. Kuldeep Jangid
IIT roorkee
Structural and biochemical characterization of shikimate pathway enzymes
Mr. Shubham Aggrawal
IIT Roorkee
Oxidoreductases on bioremediation and drug targeting
Ms. Shalja Verma
IIT Roorkee
Structural and AI-based studies of enzymes involved in biodegradation of plasticizers
Mr. Arpan Kayastha
IIT Roorkee
Enzyme Engineering in Biodegradation of Plastics and Plasticizers
Ms. Preeti Dhaka
IIT Roorkee
Discovery of therapeutic agents for COVID19 using drug repurposing approach
Ms. Vishakha
IIT Roorkee
Structural studies of nanobodies
Mr. Amith Kumar
IIT Roorkee
Structural studies of bacterial enzymes involved in plasticizer degradation
Miscellaneous
Events
Indo-US conference on "Structural Biology and Drug Discovery"
01 Jan 2014 - Present
IUSSTF, DRDO, DST, ICMR, INSA
48th National Seminar on Crystallography
25 Nov 2021 - 27 Nov 2021
CSIR, DBT, DRDO
ASM Microbe
09 Jun 2022 - 13 Jun 2022
Purification and structural characterization of an 11S globulin from Wrightia tinctoria at Delhi-2015
01 Jan 2015 - Present
‘Hands-on-Training on Modern Techniques in Biotechnology (Nano/structural biotechnology)’
01 Jan 2013 - Present
USBD
Workshop for National Science Talent Scholarship in Roorkee
01 Jan 2012 - Present
NCERT
Macromolecular Crystallography
01 Jan 2010 - Present
I.I.T. Roorkee
INDO-FRENCH seminar on the topic “Application of Structural Biology in Translational Research & Structure- Guided- Drug- Design at ACTREC-Navi Mumbai, November 19-20, 2015 on "Active-Site Plasticity is Essential to Carbapenem Hydrolysis by OXA-58 Class D
01 Jan 2015 - Present
Indo-US International Conference/workshop on "Recent Advances in Structural Biology and Drug Discovery,9-11 October 2014, IIT Roorkee“Ligand bound structures of 3-deoxy- D-manno-octulosonate 8-phosphate phosphatase fromMoraxella catarrhalis reveals water
01 Jan 2014 - Present
Structural studies of enzymes involved in biphenyl degrading pathway, at JNU-2013
01 Jan 2013 - Present
National Conference on Recent Trends in Protein Structural Biology will be held during December 16-18, 2013 at Jamia Millia Islamia on " structural studies of enzymes involved in the biodegradation oftoxic aromatic compounds"
01 Jan 2013 - Present
Structural Proteomics of therapeutic proteins in plants at Delhi 2013
01 Jan 2013 - Present
Invited for a lecture for "Current Trends in Structural Biology (CTSB)- 2012", held during 2nd April 2012, Department of Biophysics, AIIMS;"Biochemical studies and ligand-bound structures of biphenyl dehydrogenase from Pandoraea pnomenusa strain B-356 rev
01 Jan 2012 - Present
in Proteomics-2012 held in Las Vegas, USA during July 02-04, 2012 on "Structural analysis of chorismate synthase from Plasmodium falciparum: a novel target for antimalaria drug discovery"
01 Jan 2012 - Present
Indo-US symposium on "Modern Trends in Macromolecular Structires" Feb 21-24th 2011 held IIT Bombay
01 Jan 2011 - Present
"Lactoferrin or Transferrin? Crystal Structure of Lactoferrin"
01 Jan 2002 - Present
"Structure solution of a 40 kDa protein from goat secretions". at discussion meeting on Macromolecular crystallography Feb 6-7, 1998. at MBU, IISc. Banglore.
01 Jan 1998 - Present
Administrative Positions
Head, Biosciences and Bioengineering
01 Feb 2021 - 31 Jan 2024
IIT Roorkee
Associate Dean (Corporate Interaction)
14 Jun 2017 - 17 Jun 2020
IIT Roorkee
Chief Advisor Sports
01 Jan 2013 - 23 Jun 2017
Sports Council, IIT ROORKEE
Deputy Chief Advisor Students Club
01 Jan 2010 - 01 Jan 2013
IIT Roorkee
Warden
03 Apr 2006 - 12 May 2008
IIT Roorkee
Particulars of course

1. Macromolecular Crystallography: Institute elective

2. Bioinformatics: M.Sc. & B.Tech. (Biotechnology)

3. Structural Biology: B.Tech. (Biotechnology)

4. Structure based drug design: B.Tech. (Biotechnology)

5. protein crystallography: B.Tech. (Biotechnology)

Refereed Journal Papers

Publication list (*Corresponding author).

2022

Mahto JK, Neetu N, Sharma M, Dubey M, Vellanki BP, Kumar P*. Structural Insights into Dihydroxylation of Terephthalate, a Product of Polyethylene Terephthalate Degradation. J Bacteriol. 2022 Mar 15;204(3):e0054321. doi: 10.1128/JB.00543-21. Epub 2022 Jan 10. PMID: 35007143; PMCID: PMC8923216.

Pareek A, Kumar R, Mudgal R, Neetu N, Sharma M, Kumar P, Tomar S. Alphavirus antivirals targeting RNA-dependent RNA polymerase domain of nsP4 divulged using surface plasmon resonance. FEBS J. 2022 Feb 14. doi: 10.1111/febs.16397. Epub ahead of print. PMID: 35156752.

Mahto JK, Sharma M, Neetu N, Kayastha A, Aggarwal S, Kumar P.* Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase. Arch Biochem Biophys. 2022 Jun 3;727:109314. doi: 10.1016/j.abb.2022.109314. Epub ahead of print. PMID: 35667443.

2021

Mahto, J. K., Neetu, N., Waghmode, B., Kuatsjah, E., Sharma, M., Sircar, D., Sharma, A. K., Tomar, S., Eltis, L. D., & Kumar, P*. (2021). Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni. The Journal of biological chemistry,297(6), 101416. 

Neetu N, Katiki M, Mahto JK, Sharma M, Narayanan A, Maity S, Tomar S, Ambatipudi K, Sharma AK, Yernool D, Kumar P*. Deciphering the enigma of missing DNA binding domain of LacI family transcription factors. Arch Biochem Biophys. 2021 Nov 30;713:109060. doi: 10.1016/j.abb.2021.109060. Epub 2021 Oct 16. PMID: 34666048.

Dalal V, Dhankhar P, Singh V, Singh V, Rakhaminov G, Golemi-Kotra D, Kumar P*. Structure-Based Identification of Potential Drugs Against FmtA of Staphylococcus aureus: Virtual Screening, Molecular Dynamics, MM-GBSA, and QM/MM. Protein J. 2021 Apr;40(2):148-165. doi: 10.1007/s10930-020-09953-6. Epub 2021 Jan 9. PMID: 33421024.

Choudhary S, Neetu N, Singh VA, et al. Chikungunya virus titration, detection and diagnosis using N-Acetylglucosamine (GlcNAc) specific lectin based virus capture assay. Virus Research. 2021. Sep;302:198493. DOI: 10.1016/j.virusres.2021.198493. PMID: 34175343.

Kumar KA, Sharma M, Dalal V, Singh V, Tomar S, Kumar P.* Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations. J Mol Graph Model. 2021 Sep;107:107969. doi: 10.1016/j.jmgm.2021.107969. Epub 2021 Jun 17. PMID: 34237666; PMCID: PMC8220440.

Sharma M, Mahto JK, Dhaka P, Neetu N, Tomar S, Kumar P*. MD simulation and MM/PBSA identifies phytochemicals as bifunctional inhibitors of SARS-CoV-2. J Biomol Struct Dyn. 2021 Aug 27:1-14. doi: 10.1080/07391102.2021.1969285. Epub ahead of print. PMID: 34448684.

Gupta DN, Dalal V, Savita BK, Dhankhar P, Ghosh DK, Kumar P*, Sharma AK. In-silico screening and identification of potential inhibitors against 2Cys peroxiredoxin of Candidatus Liberibacter asiaticus. J Biomol Struct Dyn. 2021 May 3:1-15. doi: 10.1080/07391102.2021.1916597. Epub ahead of print. PMID: 33939584.

Gunjan Saini, Vikram Dalal, Deena Nath Gupta, Nidhi Sharma, Pravindra Kumar* & Ashwani Kumar Sharma (2021) A molecular docking and dynamic approach to screen inhibitors against ZnuA1 of Candidatus Liberibacter asiaticus, Molecular Simulation, 47:6, 510-525, DOI: 10.1080/08927022.2021.1888948

Kumar KA, Sharma M, Dalal V, Singh V, Tomar S, Kumar P*. Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations. J Mol Graph Model. 2021 Sep;107:107969. doi: 10.1016/j.jmgm.2021.107969. Epub 2021 Jun 17. PMID: 34237666; PMCID: PMC8220440.

 

2020

 

Dhankhar P, Dalal V, Mahto JK, Gurjar BR, Tomar S, Sharma AK, Kumar P*. (2020) Characterization of dye-decolorizing peroxidase from Bacillus subtilis. Archives of Biochemistry and Biophysics. 2020 Oct 30;693:108590. doi: 10.1016/j.abb.2020.108590. Epub 2020 Sep 21. PMID: 32971035.

 

 

 Neetu N, Sharma M, Mahto JK, Kumar P*. (2020). Biophysical and In-Silico Studies of Phytochemicals Targeting Chorismate Synthase from Drug-Resistant Moraxella Catarrhalis. The Protein Journal. 2020 Oct 10:1-2. doi: 10.1007/s10930-020-09923-y. Epub 2020 Oct 10. PMID: 33037984.

 

Dhankhar P, Dalal V, Singh V, Tomar S, Kumar P*. (2020). Computational guided identification of novel potent inhibitors of N-terminal domain of nucleocapsid protein of severe acute respiratory syndrome coronavirus 2. Journal of Biomolecular Structure and Dynamics. 2020 Nov 23:1-6. doi: 10.1080/07391102.2020.1852968. PMID: 33251943.

 

Dhankhar P, Dalal V, Kotra DG, Kumar P*. (2020). In-silico approach to identify novel potent inhibitors against GraR of S. aureus. Front Biosci 2020 Mar 1;25:1337-1360. PMID: 32114436.

 

Kumar P, Dalal V, Sharma N, Kokane S, Ghosh DK, Kumar P, Sharma AK*. (2020). Characterization of the heavy metal binding properties of periplasmic metal uptake protein CLas-ZnuA2. Metallomics. 2020 Feb 26;12(2):280-289. doi: 10.1039/c9mt00200f. PMID: 31853532.

 

Kesari P, Pratap S, Dhankhar P, Dalal V, Mishra M, Singh PK, Chauhan H, Kumar P*. (2020). Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition. Sci Rep. 2020 Jan 24;10(1):1160. doi: 10.1038/s41598-020-58138-9. PMID: 31980708; PMCID: PMC6981215.

 

Kumar P, Dalal V, Kokane A, Singh S, Lonare S, Kaur H, Ghosh DK, Kumar P, Sharma AK*. (2020). Mutation studies and structure-based identification of potential inhibitor molecules against periplasmic amino acid binding protein of Candidatus Liberibacter asiaticus (CLasTcyA). Int J Biol Macromol. 2020 Mar 15;147:1228-1238. doi: 10.1016/j.ijbiomac.2019.09.250. Epub 2019 Nov 15. PMID: 31739071.

 

Neetu N, Katiki M, Dev A, Gaur S, Tomar S, Kumar P*. (2020). Structural and biochemical analyses reveal that chlorogenic acid inhibits the shikimate pathway. Journal of Bacteriology. 2020 Aug 25;202(18). doi: 10.1128/JB.00248-20. Epub 2020 Aug 25. PMID: 32661075.

 

Singh N, Dalal V, Kumar P*. (2020). Molecular docking and simulation analysis for elucidation of toxic effects of dicyclohexyl phthalate (DCHP) in glucocorticoid receptor-mediated adipogenesis. Molecular Simulation. 2020 Jan 2;46(1):9-21. doi: 10.1089/107555302317371479.

 

Kumari N, Dalal V, Kumar P, Rath SN*. (2020). Antagonistic interaction between TTA-A2 and paclitaxel for anti-cancer effects by complex formation with T-type calcium channel. Journal of Biomolecular Structure and Dynamics. 23:1-2. doi: 10.1080/07391102.2020.1839558. PMID: 33103598.

 

 

2019

Dalal V, Kumar P, Rakhaminov G, Qamar A, Fan X, Hunter H, Tomar S, Golemi-Kotra D, Kumar P*. (2019). Repurposing an ancient protein core structure: structural studies on FmtA, a novel esterase of staphylococcus aureus. J Mol Biol.;431(17):3107- 3123. doi: 10.1016/j.jmb.2019.06.019. Epub 2019 Jun 28. PMID: 31260692.

 Kaur R, Mudgal R, Jose J, Kumar P, Tomar S*. (2019). Glycan-dependent chikungunya viral infection divulged by antiviral activity of NAG specific chi-like lectin. Virology. 2019 Jan 2;526:91-98. doi: 10.1016/j.virol.2018.10.009. Epub 2018 Oct 25. PMID: 30388630

Saini G, Dalal V, Savita BK, Sharma N, Kumar P, Sharma AK*. (2019). Molecular docking and dynamic approach to virtual screen inhibitors against Esbp of Candidatus Liberibacter asiaticus. J Mol Graph Model. 2019 Nov; 92:329-340. doi:10.1016/j.jmgm.2019.08.012. Epub 2019 Aug 16. PMID: 31446203.

Singh N, Dalal V, Kumar V, Sharma M, Kumar P*. (2019). Characterization of phthalate reductase from Ralstonia eutropha CH34 and in silico study of phthalate dioxygenase and phthalate reductase interaction. J Mol Graph Model. 2019 Nov; 92:329-340. doi: 10.1016/j.jmgm.2019. 08.012. Epub 2019 Aug 16. PMID: 31446203.

Kumar P, Kesari P, Kokane S, Ghosh DK, Kumar P, Sharma AK*. (2019). Crystal structures of a putative periplasmic cystine‐binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. FEBS J. 286(17):3450-3472. doi: 10.1111/febs.14921. Epub 2019 May 24. PMID: 31063259.

Kumar P, Dalal V, Kokane A, Singh S, Lonare S, Kaur H, Ghosh DK, Kumar P, Sharma AK*. (2019). Mutation studies and structure-based identification of potential inhibitor molecules against periplasmic amino acid binding protein of Candidatus Liberibacter asiaticus (CLasTcyA). Int J Biol Macromol. 147:1228-1238. doi: 10.1016/j.ijbiomac.2019.09.250. Epub 2019 Nov 15. PMID: 31739071.

 

 

2018

 

Kumar V, Sharma A, Pratap S, Kumar, P* (2018). Biochemical and biophysical characterization of 1,4-Naphthoquinone as a dual inhibitor of two key enzymes of type II fatty acid biosynthesis from Moraxella catarrhalis. Biochim Biophys Acta.  Protein and Proteomics 1866(11):1131-1142

 

 Narwal M, Singh H, Pratap S, Malik A, Kuhn RJ, Kumar, P, Tomar S. (2018). Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site. Int J Biol Macromol. 116:451-462. PubMed PMID: 29730006.

 

Sharma A, Kumar V, Pratap S, Kumar, P*.(2018). The inhibitory and binding studies of methyl-sulfone hydroxamate based inhibitors against LpxC from drug resistant Moraxella catarrhalis using biophysical, biochemical and in silico approaches. Int J Biol Macromol.  PubMed PMID: 30017978.

 

Kumar V, Sharma A, Pratap S, Kumar, P*. (2018). Biophysical and in silico interaction studies of aporphine alkaloids with Malonyl-CoA: ACP transacylase (FabD) from drug resistant Moraxella catarrhalis. Biochimie. (2018); 149:18-33. PubMed PMID: 29604333.

 

Kumar V, Sharma A, Pratap S, Kumar, P*.(2018). Characterization of isoflavonoids as inhibitors of β-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Moraxella catarrhalis: Kinetics, spectroscopic, thermodynamics and in silico studies. Biochim Biophys Acta. 1862(3):726-744. PubMed PMID: 29092780.

 

Sharma R, Kesari P, Kumar, P, Tomar S*.(2018). Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket. Virology (2018); 515:223-234.

 

Singh N, Dalal V, Kumar, P*.(2018).  Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. Int J Biol Macromol. (2018); 108:214-224.

 

Kumar V, Sharma A, Pratap S, Kumar, P*. (2018). Characterization of isoflavonoids as inhibitors of β-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Moraxella catarrhalis: Kinetics, spectroscopic, thermodynamics and in silico studies.     Biochim Biophys Acta. (General Subjects) (2018); 1862(3):726-744.

 

Sharma A, Kumar V, Chatrath A, Dev A, Prasad R, Sharma AK, Tomar S, Kumar, P* (2018). In vitro metal catalyzed oxidative stress in DAH7PS: Methionine modification leads to structure destabilization and induce amorphous aggregation. Int J Biol Macromol. (2018);106:1089-1106.

 

 

 

2017

Aggarwal M, Kaur R, Saha A, Mudgal R, Yadav R, Dash PK, Parida M, Kumar, P, Tomar S*. (2017). Evaluation of antiviral activity of piperazine against Chikungunya virus targeting hydrophobic pocket of alphavirus capsid protein. Antiviral Res. (2017);146:102-111.

 

Pratap S, Dev A, Kumar V, Yadav R, Narwal M, Tomar S, Kumar, P*. (2017). Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site. Nature Publishing group Sci Rep. (2017); 25;7(1):6364.

 

Kumar, P, Kesari P, Dhindwal S, Choudhary AK, Katiki M, Neetu, Verma A, Ambatipudi K, Tomar S, Sharma AK, Mishra G, Kumar, P*. (2017). A novel function for globulin in sequestering plant hormone: Crystal structure of Wrightia tinctoria 11S globulin in complex with auxin. Nature Publishing group Sci Rep. (Nature Publishing Journal) (2017); 7(1):4705.

 

Singh N, Dalal V, Mahto JK, Kumar, P*. (2017). Biodegradation of phthalic acid esters (PAEs) and in silico structural characterization of mono-2-ethylhexyl phthalate (MEHP) hydrolase on the basis of close structural homolog. J Hazard Mater. (2017); 15;338:11-22.

Kesari P, Neetu, Sharma A, Katiki M, Kumar, P, Gurjar BR, Tomar S, Sharma AK, Kumar, P*. (2017). Structural, Functional and Evolutionary Aspects of Seed Globulins. Protein Pept Lett. (2017); 24(3):267-277.

 

Sharma A, Kumar, P, Kesari P, Chaudhary N, Katiki M, Mishra M, Singh PK, Gurjar, BR, Sharma AK, Tomar S, Kumar, P*.(2017).            Purification and Characterization of 2S albumin from seeds of Wrightia tinctoria exhibiting Antibacterial and DNase Activity.   Protein Pept Lett. (2017); 24(4):368-378.

 

Pratap S, Kesari, P, Yadav R, Dev A, Narwal M & Kumar, P*. (2017). Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies. Int J Biol Macromol. (2017); 96:759-765.

 

 

2016

 

Dhindwal S, Gomez-Gil L, Neau DB, Pham TT, Sylvestre M, Eltis LD, Bolin JT, Kumar, P*. (2016). The structural basis of the enhanced pollutant-degrading capabilities of an engineered biphenyl dioxygenase. J Bacteriol. (2016); 198(10) 1499-512.

Dhindwal S, Kesari P, Singh H, Kumar, P, Tomar S*. (2016). Conformer and pharmacophore  based identification of peptidomimetic inhibitors of chikungunya virus nsP2 protease.    J Biomol Struct Dyn. (2017); 35(16):3522-3539

Sharma R, Fatma B, Saha A, Bajpai S, Sistla S, Dash PK, Parida M, Kumar, P,Tomar S*. (2016). Inhibition of chikungunya virus by picolinate that targets viral capsid  protein. Virology. (2016); 498:265-276. PubMed PMID: 27614702.

Batra M, Sharma R, Malik A, Dhindwal S, Kumar, P, Tomar S*. (2016).            Crystal structure of pentapeptide-independent chemotaxis receptor methyltransferase (CheR) reveals  idiosyncratic structural determinants for receptor recognition J Struct Biol. (2016); 196(3):364-374

Tomar JS, Narwal M, Kumar, P, Peddinti RK*. (2016). Characterization of substrate binding and enzymatic removal of a 3-methyladenine lesion from genomic DNA with TAG of MDR A. baumanniiMol Biosyst. (2016); 12(11):3259-3265. PubMed PMID: 27714027.

Mukhi N, Dhindwal S, Uppal S, Kapoor A, Arya R, Kumar, P, Kaur J, Kundu S*. (2016). Structural and Functional Significance of the N- and C-Terminal Appendages in Arabidopsis Truncated Hemoglobin. Biochemistry.(2016); 55(12):1724-40.

 

 

2015

Pratap S, Katiki M, Gill P, Kumar, P*, Golemi-Kotra D. (2015). Active-Site Plasticity is Essential to Carbapenem Hydrolysis by OXA-58 Class D β-Lactamase of Acinetobacter baumannii. Antimicrob Agents Chemother. (2015); 60(1):75-86.

Dhindwal S, Priyadarshini P, Patil DN, Tapas S, Kumar, P, Tomar S, Kumar, P*. (2015). Ligand-bound structures of 3-deoxy-D-manno octulosonate 8-phosphate phosphatase from Moraxella catarrhalis reveal a water channel connecting the active site for the second step of catalysis. Acta Crystallogr D Biol Crystallogr(2015); 71(Pt 2):239-55.

Sharma N, SelvaKumar, P, Bhose S, Ghosh DK, Kumar, P, Sharma AK. (2015). Crystal  structure of a periplasmic solute binding protein in metal-free, intermediate and metal-bound states from Candidatus Liberibacter asiaticusJ Struct Biol. (2015); 189(3):184-9

Aggarwal M, Sharma R, Kumar, P, Parida M, Tomar S. (2015). Kinetic characterization of trans-proteolytic activity of Chikungunya virus capsid protease and development of a FRET-based HTS assay. Nature Publishing group Sci Rep. (2015); 5:14753.

Kesari P, Patil DN, Kumar, P, Tomar S, Sharma AK, Kumar, P*. (2015). Structural and functional evolution of chitinase- like-proteins from plants.  Proteomics. 15(10):1693-705.

 

2014

SelvaKumar, P, Sharma N, Tomar PP, Kumar, P, Sharma AK(2014). Structural insights into the aggregation behavior of Murraya koenigii miraculin-like protein below pH 7.5. Proteins (2014); 82(5):830-40.

Aggarwal M, Dhindwal S, Kumar, P, Kuhn RJ, Tomar S. (2015). Trans-Protease activity and structural insights into the active form of the alphavirus capsid protease. J Virol. (2014); 88(21):12242-53.

 

 

2013

 

Colbert CL†, Agar NY†, Kumar, P†, Chakko MN, Sinha SC, Powlowski JB, Eltis LD, Bolin JT. (2013) Structural characterization of Pandoraea pnomenusa B-356 biphenyl dioxygenase reveals features of potent polychlorinated biphenyl-degrading enzymes PLoS One. (2013); 8(1):e52550 (†Contributed equally).

 

 

2012

 

Patil, D.N., Chaudhry, A., Sharma, A.K., Tomar, S., Kumar, P*. Structural basis for dual inhibitory role of tamarind Kunitz inhibitor (TKI) against factor Xa and trypsin. FEBS J  (2012); 279(24):4547-64.

 

Kumar, P, Mohammadi M, Dhindwal S., Bolin JT &Sylvestre M. Structural insights into the metabolism of 2-chlorodibenzofuran by an evolved biphenyl dioxygenase   BBRC (2012);  421(4):757-62.

 

Kumar, P., Patil, D.N., Chaudhary, A., Tomar, S.,Yernool, D., Singh, N., Dasauni, P.,  Kundu, S., & Kumar, P*., Purification and biophysical characterization of 11S globulin from Wrightia tinctoria exhibiting hemagglutinating activity. Protein & peptide letters (2012); 20(5):499-509.

 

Preeti, Tapas S, Kumar, P, Madhubala R, Tomar S.       Biochemical, Mutational and In Silico Structural Evidence for Functional Dimeric Form of the Ornithine Decarboxylase from Entamoeba histolytica. PLoSNegl Trop Dis. (2012); 6(2):e1559.

 

Narayanan A, Paul LN, Tomar S, Patil DN, Kumar, P, Yernool DA. Structure-function studies of DNA binding domain of response regulator KdpE reveals equal affinity interactions at DNA half-sites. PLoS One.(2012); 7(1):e30102.

 

 

2011

 

Patil DN, Datta M, Dev A, Dhindwal S, Singh N, Dasauni P, Kundu S, Sharma AK, Tomar S, Kumar, P*. Structural Investigation of a Novel N-Acetyl Glucosamine Binding Chi-Lectin Which Reveals Evolutionary Relationship with Class III Chitinases. PLoS One. (2013);  23;8(5):e63779.

 

 Mukhi N, Dhindwal S, Uppal S, Kumar, P, Kaur J, Kundu S. X-Ray crystallographic structural characteristics of Arabidopsis hemoglobin I and their functional implications. Biochim Biophys Acta. (2013); 1834(9):1944-56.

 

Preeti, Tapas S, Kumar, P, Madhubala R, Tomar S. Structural insight into DFMO resistant ornithine decarboxylase from Entamoeba histolytica: an inkling to adaptive evolution. PLoS One.(2013); 8(1):e53397.

 

Aggarwal M, Tapas S, Preeti, Siwach A, Kumar, P, Kuhn RJ, Tomar S. Crystal structure of aura virus capsid protease and its complex with dioxane: new insights into capsid-glycoprotein molecular contacts. PLoS One.(2013); 7(12):e51288.

 

Dhindwal S, Patil DN, Mohammadi M, Sylvestre M, Tomar S, Kumar, P*. Biochemical studies and ligand-bound structures of biphenyl dehydrogenase from Pandoraea pnomenusa strain B-356 reveal a basis for broad specificity of the enzyme. J Biol Chem. (2011); Oct 21;286(42):37011-22.

 

Mohammadi, M.†, Viger, J.F.,†, Kumar, P.,†, Barriault, D., Bolin, J.T., &Sylvestre, M.. (2011); Fine tuning  Rieske -type oxygenases reactive atoms to expand their substrate range. J. Biol. Chem. (2011); 286(31):27612-35. (†Contributed equally).

 

Kumar, P., Mohammadi, M., Viger, J.F., Barriault, D., Gomez-Gil, L., Eltis, LD., Bolin J.T. &Sylvestre M.       (2011) Structural Insight into the Expanded PCB-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution. J Mol Biol. (2011); 405(2):531-47.

 

Aggarwal, M., Dhindwal, S., Pratap, S.,  Kuhn, R.J.,  Kumar, P.,& Tomar, S. (2011) Crystallization, high- resolution data collection and preliminary crystallographic analysis of Aura virus capsid protease and its complex with dioxane.          Acta Cryst. F (2011); 67, 1394-1398.

 

Bhattacharya, S., & Kumar, P.  (2011) An insilico approach to structural elucidation of 3-deoxy-d arabino-heptulosonate 7-phosphate synthase from Arabidopsis thaliana: Hints for herbicide design. Phytochemistry. (2011); 73(1):7-14.

 

Tapas, S., Kumar, A., Dhindwal, S., Preeti, Kumar, P*. (2011); Structural analysis of chorismate synthase from Plasmodium falciparum: A novel target for antimalaria drug discovery.     Int J Biol Macromol. (2011); 49(4), 767-77.

 

Kumar, P*., Gómez-Gil, L., Mohammadi, M., Sylvestre, M., Eltis, L.D. & Bolin, J.T. Anaerobic crystallization and initial X-ray diffraction data of biphenyl 2,3-dioxygenase from Burkholderiaxenovorans LB400: addition of agarose improved the quality of the crystals.  Acta Crystallogr Sect F (2011); 67, 59-62.

 

 

2010

Sakshi, Patil, D.N., Tomar, S., Sylvestre, M., & Kumar, P*.       (2010) Expression, purification, crystallization and preliminary crystallographic studies of cis-biphenyl-2,3-dihydrodiol-2,3-dehydrogenase from Pandoraea pnomenusa B-356. Acta Crystallogr Sect F (2010); 66:1517-20.

 

Gahloth, D., Selvakumar, P., Shee, C., Kumar, P*., Sharma., A.K. (2010) Cloning, sequence analysis and crystal structure determination of a miraculin-like protein from Murraya koenigii.  Arch Biochem Biophys. (2010); 1;494(1):15-22.

 

2009

Tomar, S., Patil, D.N., Datta, M., Tapas, S., Preeti, Chaudhary, A., Sharma, A.K., Tomar, S., Kumar, P*.(2009)  Crystallization and preliminary X-ray diffraction analysis of the complex of Kunitz-type tamarind trypsin inhibitor and porcine pancreatic trypsin. Acta Crystallogr Sect F (2009); 1;65(Pt 11):1179-81.

 

Patil, D.N., Datta, M., Chaudhary, A., Tomar, S., Sharma, A.K. & Kumar, P*.      (2009) Isolation, purification, crystallization and preliminary crystallographic studies of chitinase from tamarind (Tamarindus indica) seeds. Acta Crystallogr Sect F (2009); 65(Pt 4):343-5.

 

Patil, D.N., Preeti, Chaudhry, A., Sharma, A.K., Tomar, S., Kumar, P*.            (2009) Purification, crystallization and preliminary crystallographic studies of a Kunitz-type proteinase inhibitor from tamarind (Tamarindus indica) seeds. Acta Crystallogr Sect F (2009); 65(Pt 7):736-8.

 

2008

Chaudhary, N.S., Shee, C., Islam, A., Ahmad, F., Yernool, D., Kumar, P. & Sharma, A.K*.      (2009)  Purification and characterization of a trypsin inhibitor from Putranjivaroxburghii seeds. Phytochemistry. (2008); 69(11):2120-6.

2007

Shee, C., Singh, T.P., Kumar, P. & Sharma, A.K. (2007)Crystallization and preliminary X-ray diffraction studies of Murrayakoenigii trypsin inhibitor.           Acta Crystallogr Sect F (2007); 63(Pt 4):318-9.

 

Post Doctoral Work

 

Horsman, G.P., Bhowmik, S., Seah, S.Y., Kumar, P., Bolin, J.T. &Eltis, L.D.     (2007) The tautomeric half-reaction of BphD, a C-C bond hydrolase. Kinetic and structural evidence supporting a key role for histidine 265 of the catalytic triad.          J Biol Chem. (2007); 282(27):19894-904.

 

Gomez-Gil L., Kumar, P., Barriault, D., Bolin, J.T., Sylvestre, M. &Eltis, L.D. Characterization of biphenyl dioxygenase of Pandoraea pnomenusa B-356 as a potent polychlorinated biphenyl-degrading enzyme.            J Bacteriol. (2007); 189(15):5705-1

 

 PhD work

 

2004

Dey, S., Vijayaraghavan, R., Goel, V.K., Kumar, S.,  Kumar, P. & Singh, T.P.        Design of a model peptide with a, b-dehydro-residues: Synthesis of Boc-Ile- DAla-OCH3 and its crystal structures obtained from two different solvents. J. Mol.  Struct. (2004); 737 27-3.

 

2003

Vijayaraghavan, R., Makker, J., Kumar, P.,Dey, S., Singh, T. P.            Crystal structure of Boc-Trp (CHO) - ΔPhe-Ile-ΔPhe-Leu-OCH3,C48H59N6O10. ZeitschriftfuerKristallographie-New Crystal Structures (2003);    218(1), 52-54.

 

Makker, J., Dey, S., Kumar, P., Singh, T. P.  Crystal structure of Boc-ILe-ΔPhe-Ile-OCH3, C27H43N3O7.            ZeitschriftfuerKristallographie -New Crystal Structures (2003);  218, 179-180.

 

Vijayaraghavan R., Makker, J., Kumar, P., Dey S., Singh T.P. Design of peptides with a, b -dehydro-residues: syntheses, crystal structures and molecular conformations of two ΔPhe-Trp containing   peptides. Journal of Molecular Structure, (2003); 654(1-3),  103-110.

 

Makker, J., Dey, S., Mukherjee, S., Vijayaraghavan, R., Kumar, P., Singh, T. P. Design of peptides with  a, b  -dehydro-residues: synthesis, crystal structure and molecular conformation of a tetrapeptide Z-ΔVal-Val-ΔPhe-Ile-Ome. Journal of Molecular Structure,(2003); 654(1-3), 119-124.

 

Vijayaraghavan R., Kumar, P., Dey S., Singh T.P. Design of peptides with branched beta-carbon dehydro- residues: syntheses, crystal structures and molecular conformations of two peptides, (I) N-Carbobenzoxy-DeltaVal-Ala-Leu-OCH3 and (II) N-Carbobenzoxy-DeltaIle-Ala-Leu-OCH3. J. Pept. Res. (2003); 62(2):63-9.

 

Mohanty A.K., Singh G., Paramasivam M., Saravanan K., Jabeen T., Sharma S., Yadav S., Kaur P., Kumar, P., Srinivasan A, Singh T.P Crystal structure of a novel regulatory 40-kDa mammary gland protein (MGP-40) secreted during involution. J. Biol. Chem.(2003); 278(16):14451-60.

 

2002

Makker, J., Dey, S., Mukherjee, S., Kumar, P., Singh, T. P.    Crystal structure of Boc-Leu-ΔPhe-ΔPhe-Ile-OCH3, C36H48N4O7. Zeitschriftfuer Kristallographie-New Crystal Structures (2002); 217(3), 372-374.

 

Makkar, J., Dey, S., Kumar, P., Singh, T.P.  Crystal structure of Boc-Leu-ΔPhe-Ile-ΔPhe-Ile-OCH3,C42H59N5O8. Zeitschriftfuer Kristallographie - New Crystal Structures (2002); 217(3), 369-371.

 

Kumar, P., Yadav, S. & Singh, T.P. Crystallization and structure determination of goat lactoferrin at 4.0 Å  resolution: A new form of packing in lactoferrins with a high solvent in crystals. Ind. J. Biochem. Biophys. (2002); 39(1):16-21.

 

Makkar, J., Dey, S., Kumar, P., Singh, T.P. Design of peptides with alpha, beta-dehydro residues: pseudo-tripeptideN-benzyloxycarbonyl-DeltaLeu-L-Ala-L-Leu-OCH3. Acta Crystallogr C58 (2002); 212-4.

 

Kumar, P., Khan, J.A., Yadav, S. & Singh, T.P. Crystal structure of equine apolactoferrin at 303 K providing further evidence of closed conformations of N and C lobes. Acta Crystallogr  D58 (2002); 225-32.

 

 

2001

Singh, J.D., Milton, M.D., Bhalla, G. Khandelwal, B. L., Kumar, P., Singh, T. P., Butcher, R. J. Design, synthesis and structural aspects of acyclic N3E2 (E = Se or Te) type donors and its complexes with Group 12 metals. Phosphorus, Sulfur and Silicon and the Related  Elements. (2001); (171-172)  477-484.

 

Milton, M.D., Singh, J. D., Khandelwal, B. L.; Kumar, P., Singh, T. P., Butcher, R. J.    Design, synthesis and  structural aspects of terdentate (N,O,Se/Te) donors and their competitive coordination behavior towards Pt(II). Phosphorus,Sulfur and Silicon and the Related Elements(2001); (171-172)  485-492.

 

Tomar, S., Yadav, S., Chandra, V., Kumar, P., Singh, T.P. Purification, crystallization and preliminary X-ray diffraction studies of disintegrin (schistatin) from saw-scaled viper (Echiscarinatus). Acta Crystallogr  D57(2001);1669-70.

 

Vijayaraghavan, R., Kumar, P., Dey, S., Singh, T.P.      Design of peptides with alpha, beta-dehydro residues: a dipeptide with a branched beta-carbon dehydro residue at the (i+1) position, methyl N - (benzyloxycarbonyl) - alpha, beta - didehydrovalyl - L – tryptophanate. Acta Crystallogr C57 (2001); 1220-1.

 

Khan, J.A., Kumar, P., Sharma, S., Mohanty, A.K., Jabeen, T., Paramasivam, M., Yadav, S., Srinivasan, A. & Singh, T.P. Mechanism of iron-uptake and iron-release in lactoferrins.    Proc. Ind. Nat. Sc. Acad. B67 (2001);1-17.

 

Kumar, P., Yadav, S., Srinivasan, A., Bhatia, K.L. & Singh, T.P. A novel 40 kDa protein from goat mammary secretions: purification, crystallization and preliminary X-ray diffraction studiesActa Crystallagr. D5765; 1332-3.

 

Sharma, S., Kumar, P., Betzel, C., Singh, T.P.   Structure and function of proteins involved in milk allergies. J Chromatogr B Biomed Sci Appl. (2001); 756(1-2), 183-7.

 

Khan, J.A., Kumar, P., Paramsivam, M., Yadav, R.S., Sahni, M.S., Sharma, S., Srinivasan, A. & Singh, T.P. Structure of camel apolactoferrin at 2.6Å resolution and structural basis of its dual role as a transferrin-cum-lactoferrin. J. Mol. Biol.  (2001); 309(3), 751-61.

 

Khan J.A., Kumar, P., Srinivasan, A., Singh, T.P. Protein intermediate trapped by the simultaneous crystallization process. Crystal structure of an iron-saturated intermediate in the Fe3+ binding pathway of camel lactoferrin at 2.7 Å  resolution. J.Biol. Chem.  (2001); 276(39), 36817-23.

 

Betzel, C., Gourinath, S., Kumar, P., Kaur, P., Perbandt, M., Eschenburg, S. & Singh, T.P. Structure of a serine protease proteinase K from Tritirachium album   Limber at 0.98Å resolution. Biochemistry. (2001); 40(10), 3080-8.

 

 

1999

Bhatia, S., Kumar, P., Kaur, P., & Singh, T.P. Design of peptides with a ,b - dehydro-residues: synthesis, and crystal and molecular structure of a 310-helical tetrapeptideBoc-L-Val-D Phe-D Phe-L-Ile-OCH3J. Pept. Res. (1999); 54, 249-256.