0000-0001-8958-3916 About
1. Structural and functional insights into the spike protein mutations of emerging SARS-CoV-2 variants. Gupta D, Sharma P, Singh M, Kumar M, Ethayathulla AS, Kaur P.
Cell Mol Life Sci. 2021 Dec;78(24):7967-7989. PMID: 34731254 Review.
2. Evolving scenario of big data and Artificial Intelligence (AI) in drug discovery.
Tripathi MK, Nath A, Singh TP, Ethayathulla AS, Kaur P. Mol Divers. 2021 Aug;25(3):1439-1460. PMID: 34159484
3. A patient with POLA1 splice variant expands the yet evolving phenotype of Van Esch O'Driscoll syndrome. Endrakanti M, Saluja S, Ethayathulla AS, Sapra S, Dalal A, Palanichamy JK, Gupta N. Eur J Med Genet. 2021 Aug;64(8):104261. doi: 10.1016/j.ejmg.2021.104261. Epub 2021 Jun 10.
PMID: 34119699
4. Structural analysis of COVID-19 spike protein in recognizing the ACE2 receptor of different mammalian species and its susceptibility to viral infection. Koley T, Madaan S, Chowdhury SR, Kumar M, Kaur P, Singh TP, Ethayathulla AS. 3 Biotech. 2021 Feb;11(2):109. doi: 10.1007/s13205-020-02599-2. Epub 2021 Feb 1.
PMID: 33552834 Free PMC article.
5. Structural insights into the transient closed conformation and pH dependent ATPase activity of S.Typhi GyraseB N- terminal domain. Gupta D, Tiwari P, Haque MA, Sachdeva E, Hassan MI, Ethayathulla AS, Kaur P. Arch Biochem Biophys. 2021 Apr 15;701:108786. doi: 10.1016/j.abb.2021.108786. Epub 2021 Feb 3.
PMID: 33548211
6. Heteroarene-fused anthraquinone derivatives as potential modulators for human aurora kinase B. Singh M, Malhotra L, Haque MA, Kumar M, Tikhomirov A, Litvinova V, Korolev AM, Ethayathulla AS, Das U, Shchekotikhin AE, Kaur P. Biochimie. 2021 Mar;182:152-165. doi: 10.1016/j.biochi.2020.12.024. Epub 2021 Jan 6.
PMID: 33417980
7. Curcumin rescue p53Y220C in BxPC-3 pancreatic adenocarcinomas cell line: Evidence-based on computational, biophysical, and in vivo studies. Malhotra L, Goyal HKV, Jhuria S, Dev K, Kumar S, Kumar M, Kaur P, Ethayathulla AS. Biochim Biophys Acta Gen Subj. 2021 Feb;1865(2):129807. doi: 10.1016/j.bbagen.2020.129807. Epub 2020 Dec 2.
PMID: 33278547
8. Identification of bioactive molecule from Withania somnifera (Ashwagandha) as SARS-CoV-2 main protease inhibitor. Tripathi MK, Singh P, Sharma S, Singh TP, Ethayathulla AS, Kaur P. J Biomol Struct Dyn. 2021 Sep;39(15):5668-5681. doi: 10.1080/07391102.2020.1790425. Epub 2020 Jul 8. PMID: 32643552 Free PMC article.
9. Drug repurposing approach to target FtsZ cell division protein from Salmonella Typhi. Naz F, Mashkoor M, Sharma P, Haque MA, Kapil A, Kumar M, Kaur P, Abdul Samath E. Int J Biol Macromol. 2020 Sep 15;159:1073-1083. doi: 10.1016/j.ijbiomac.2020.05.063. Epub 2020 May 15. PMID: 32417543
10. The pivot point arginines identified in the β-pinwheel structure of C-terminal domain from Salmonella Typhi DNA Gyrase A subunit. Sachdeva E, Kaur G, Tiwari P, Gupta D, Singh TP, Ethayathulla AS, Kaur P. Sci Rep. 2020 May 8;10(1):7817. doi: 10.1038/s41598-020-64792-w. PMID: 32385379
11. Structural and conformational behavior of MurE ligase from Salmonella enterica serovar Typhi at different temperature and pH conditions. Bansal R, Haque MA, Hassan MI, Ethayathulla AS, Kaur P. Int J Biol Macromol. 2020 May 1;150:389-399. doi: 10.1016/j.ijbiomac.2020.01.306. Epub 2020 Feb 1. PMID: 32018007
12. Structure model of ferrochelatase from Salmonella Typhi elucidating metalation mechanism. Yadav P, Kumar M, Bansal R, Kaur P, Ethayathulla AS. Int J Biol Macromol. 2019 Apr 15;127:585-593. doi: 10.1016/j.ijbiomac.2019.01.066. Epub 2019 Jan 17.
PMID: 30660563
13. Estimation of structure and stability of MurE ligase from Salmonella enterica serovar Typhi. Bansal R, Haque MA, Yadav P, Gupta D, Ethayathulla AS, Hassan MI, Kaur P. Int J Biol Macromol. 2018 Apr 1;109:375-382. doi: 10.1016/j.ijbiomac.2017.12.087. Epub 2017 Dec 16.
PMID: 29258895
14. Effect of chemical denaturants on the conformational stability of GyrB subunit of DNA gyrase from Salmonella enterica serovar Typhi. Gupta D, Sachdeva E, Haque MA, Rahman S, Bansal R, Ethayathulla AS, Hassan MI, Kaur P. Int J Biol Macromol. 2017 Oct;103:165-174. doi: 10.1016/j.ijbiomac.2017.05.013. Epub 2017 May 9. PMID: 28499947
15. Molecular modeling of Gly80 and Ser80 variants of human group IID phospholipase A2 and their receptor complexes: potential basis for weight loss in chronic obstructive pulmonary disease. Khan MI, Gupta AK, Kumar DR, Kumar M, Ethayathulla AS, Hariprasad G. J Mol Model. 2016 Sep;22(9):232. doi: 10.1007/s00894-016-3095-9. Epub 2016 Sep 1. PMID: 27585677
16 . Sequence Variation in the Response Element Determines Binding by the Transcription Factor p73. Ramos A, Tse PW, Wang J, Ethayathulla AS, Viadiu H.
Biochemistry. 2015 Dec 1;54(47):6961-72. doi: 10.1021/acs.biochem.5b00152. Epub 2015 Nov 18. PMID: 26529454
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