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Discovery of New Hydroxyethylamine Analogs against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure-Activity Relationship Studies.
Kumar S, Sharma PP, Shankar U, Kumar D, Joshi SK, Pena L, Durvasula R, Kumar A, Kempaiah P, Poonam, Rathi B. Kumar S, et al. Among authors: rathi b. J Chem Inf Model. 2020 Dec 28;60(12):5754-5770. doi: 10.1021/acs.jcim.0c00326. Epub 2020 Jun 18. J Chem Inf Model. 2020. PMID: 32551639
Oxidative Stress in Cancer Cell Metabolism.
Arfin S, Jha NK, Jha SK, Kesari KK, Ruokolainen J, Roychoudhury S, Rathi B, Kumar D. Arfin S, et al. Among authors: rathi b. Antioxidants (Basel). 2021 Apr 22;10(5):642. doi: 10.3390/antiox10050642. Antioxidants (Basel). 2021. PMID: 33922139 Free PMC article. Review.
Computational study of novel inhibitory molecule, 1-(4-((2S,3S)-3-amino-2-hydroxy-4-phenylbutyl)piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP binding to the RNA dependent RNA polymerase of SARS-CoV-2 virus.
Sharma PP, Kumar S, Srivastava S, Srivastava M, Jee B, Gorobets NY, Kumar D, Kumar M, Asthana S, Zhang P, Poonam, Zoltner M, Rathi B. Sharma PP, et al. Among authors: rathi b. J Biomol Struct Dyn. 2022;40(20):10162-10180. doi: 10.1080/07391102.2021.1940281. Epub 2021 Jun 21. J Biomol Struct Dyn. 2022. PMID: 34151735
141 results