Prof Punit Kaur

Current Designation &  Contact Number

Professor & Head of the Department

Phone: +91-11-26594288/3201

Email: This email address is being protected from spambots. You need JavaScript enabled to view it. , This email address is being protected from spambots. You need JavaScript enabled to view it.

Brief Research Area

Bioinformatics, Structural Biology, X-ray Crystallography, and Rational Structure Based Drug Design.

Selected Publications/Patents (Last 5 years)

Google Scholar Link: https://scholar.google.com/citations?hl=en&user=SWeHXa4AAAAJ 
 

Publications:

1. Gupta D, Tiwari P, Haque MA, Sachdeva E, Hassan MI, Ethayathulla AS, Kaur P. (2021) Structural insights into the transient closed conformation and pH dependent ATPase activity of S.Typhi Gyrase B N- terminal domain. Arch Biochem Biophys. Apr 15; 701:108786. doi: 10.1016/j.abb.2021.108786.

2. Gupta D, Sharma P, Singh M, Kumar M, Ethayathulla AS, Kaur P. (2021) Structural and functional insights into the spike protein mutations of emerging SARS-CoV-2 variants. Cell Mol Life Sci. 78:7967-7989. doi: 10.1007/s00018-021-04008-0. (Review)

3. Tripathi MK, Nath A, Singh TP, Ethayathulla AS, Kaur P (2021) Evolving scenario of big data and Artificial Intelligence (AI) in drug discovery Mol Divers 25(3):1439-1460. doi: 10.1007/s11030-021-10256-w.

4. Katiyar A, Kaur G, Rani L, Jena L, Singh H, Kumar L, Sharma A, Kaur P*, Gupta R*. (2021) Genome-wide identification of potential biomarkers in multiple myeloma using meta-analysis of mRNA and miRNA expression data. Sci Rep. 11(1):10957. doi: 10.1038/s41598-021-90424-y. (Co-Corresponding authors)

5. Singh PK, Pandey S, Rani C, Ahmad N, Viswanathan V, Sharma P, Kaur P, Sharma S, Singh TP (2021) Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 Å resolution. J Biol Inorg Chem. 26(1):149-159. doi: 10.1007/s00775-020-01844-6.

6. Singh PK, Sharma P, Bhushan A, Kaur P, Sharma S, Singh TP. (2021) Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 Å resolution. J Inorg Biochem. 220:111461. doi: 10.1016/j.jinorgbio.2021.111461.

7. Sharma P, Vijayan V, Pant P., Vikram N, Kaur P, Singh, TP, Sharma S (2021) Identification of potential drug candidates to combat COVID-19: a structural study using the main protease (mpro) of SARS-CoV-2. J. Biomol Struct Dyn 39(17):6649-6659.

8. Vijayan V, Pant P., Vikram N, Kaur P, Singh, TP, Sharma S, Sharma P (2021) Identification of promising drug candidates against NSP16 of SARS-CoV-2through computational drug repurposing study. J. Biomol Struct Dyn 39(17):6713-6727.

9. Gupta A, Vijayan V, Pant P., Kaur P, Singh, TP, Sharma P, Sharma S (2021) Structure prediction and discovery of inhibitors against phosphopanthothenoyl cysteine synthetase of Acinetobacter baumannii. J. Biomol Struct Dyn Aug 4:1-13.

10. Singh M, Malhotra L, Haque MA, Kumar M, Tikhomirov A, Litvinova V, Korolev AM, Ethayathulla AS, Das U, Shchekotikhin AE, Kaur P. (2021) Heteroarene-fused anthraquinone derivatives as potential modulators for human aurora kinase B. Biochimie. 182:152-165. doi: 10.1016/j.biochi.2020.12.024.

11. Viswanathan V, Rani C, Ahmad N, Singh PK, Sharma P, Kaur P, Sharma S, Singh TP.(2021) Structure of Yak Lactoperoxidase at 1.55 Å Resolution. Protein J. 40: 8-18. doi: 10.1007/s10930-020-09957-2. .PMID: 33389415

12. Koley T, Madaan S, Chowdhury SR, Kumar M, Kaur P, Singh TP, Ethayathulla AS. (2021) Structural analysis of COVID-19 spike protein in recognizing the ACE2 receptor of different mammalian species and its susceptibility to viral infection. 3 Biotech.11(2):109. doi: 10.1007/s13205-020-02599-2. Epub 2021 Feb 1.PMID: 33552834

13. Malhotra L, Goyal HKV, Jhuria S, Dev K, Kumar S, Kumar M, Kaur P, Ethayathulla AS. (2021) Curcumin rescue p53Y220C in BxPC-3 pancreatic adenocarcinomas cell line: Evidence-based on computational, biophysical, and in vivo studies. Biochim Biophys Acta Gen Subj. 1865:129807. doi: 10.1016/j.bbagen.2020.129807.

14. Gupta A, Singh PK, Sharma P, Kaur P, Sharma S, Singh TP. (2020) Structural and biochemical studies of phosphopantetheine adenylyltransferase from Acinetobacter baumannii with dephospho-coenzyme A and coenzyme A. Int J Biol Macromol. 142:181-190. doi: 10.1016/j.ijbiomac.2019.09.090. ]

15. Gupta A, Rani C, Pant P, Vijayan V, Vikram N, Kaur P, Singh TP, Sharma S, Sharma P. (2020) Structure-Based Virtual Screening and Biochemical Validation to Discover a Potential Inhibitor of the SARS-CoV-2 Main Protease.ACS Omega. 5:33151-33161. doi: 10.1021/acsomega.0c04808. ]

16. Naz F, Mashkoor M, Sharma P, Haque MA, Kapil A, Kumar M, Kaur P, Abdul Samath E.(2020) Drug repurposing approach to target FtsZ cell division protein from Salmonella Typhi. Int J Biol Macromol. 159:1073-1083. doi: 10.1016/j.ijbiomac.2020.05.063. ]

17. Sachdeva, E., Kaur, G., Tiwari, P., Gupta, D, Singh TP, Ethayathulla, AS, Kaur P. (2020). The pivot point arginines identified in the β-pinwheel structure of C-terminal domain from Salmonella Typhi DNA Gyrase A subunit. Sci Rep 10, 7817 https://doi.org/10.1038/s41598-020-64792-w]

18. Tripathi MK, Singh P, Sharma S, Singh TP, Ethayathulla AS, Kaur P (2020) Identification of bioactive molecule from Withania somnifera (Ashwagandha) as SARS-CoV-2 main protease inhibitor J. Biomol Struc. Dyn. doi.org/10.1080/07391102.2020.1790425]

19. Katiyar A, Sharma P, Dahiya S, Singh H, Kapil A, Kaur P (2020) Genomic profiling of antimicrobial resistance genes in clinical isolates of Salmonella Typhi from patients infected with Typhoid fever in India. Sci. Rep. 10:8299. doi: 10.1038/s41598-020-64934-0.]

20. Sharma P, Vijayan V , Pant P, Sharma M, Vikram N, Kaur P, Singh TP, Sharma S (2020) Identification of potential drug candidates to combat COVID-19: a structural study using the main protease (mpro) of SARS-CoV-2 J. Biomol Struc. Dyn. doi.org/10.1080/07391102.2020.1798286

21. Bansal R Haque MA, Hassan MI, Ethayathulla AS, Kaur P. (2020) Structural and conformational behavior of MurE ligase from Salmonella enterica serovar Typhi at different temperature and pH conditions Int J Biol Macromol. 150:389-399. doi: 10.1016/j.ijbiomac.2020.01.306

22. Tiwari A, Kumar M, Kaur P, Kumar B, Sagi SSK (2020) Efficacy of Quercetin as a potent sensitizer of β2 AR in combating the impairment of fluid clearance in lungs of rats under hypoxia. Respiratory Physiology & Neurobiology 273: 103334

23. Verma D, Gupta S, Saxena R, Kaur P, Srivastava S, Gupta V. (2020) Allosteric inhibition and kinetic characterization of Klebsiella pneumoniae CysE: An emerging drug target. Int J Biol Macromol. 151:1240‐1249. doi:10.1016/j.ijbiomac.2019.10.170

24. Kumar A, Jain V, Chowdhury MR, Kumar M, Kaur P, Kabra M. (2020) Pathogenic/likely pathogenic variants in the SHOX, GHR and IGFALS genes among Indian children with idiopathic short stature. J Pediatr Endocrinol Metab 33:79-88. doi: 10.1515/jpem-2019-0234.

Recent Chapter in Book

1. Tripathi, MK, Sharma, S, Singh, TP, Ethayathulla, AS, Kaur P (2021) Computational Intelligence in Drug Repurposing for COVID-19 in 'Computational Intelligence Methods in COVID-19: Surveillance, Prevention, Prediction and Diagnosis" in the series Studies in Computational Intelligence', Pg 273 - 294 Ed. Khalid Raza Springer Singapore