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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: durvasula r. 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
Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach.
Gupta Y, Kumar S, Zak SE, Jones KA, Upadhyay C, Sharma N, Azizi SA, Kathayat RS, Poonam, Herbert AS, Durvasula R, Dickinson BC, Dye JM, Rathi B, Kempaiah P. Gupta Y, et al. Among authors: durvasula r. Bioorg Med Chem. 2021 Oct 1;47:116393. doi: 10.1016/j.bmc.2021.116393. Epub 2021 Sep 4. Bioorg Med Chem. 2021. PMID: 34509862 Free PMC article.
Bisindolylmaleimide IX: A novel anti-SARS-CoV2 agent targeting viral main protease 3CLpro demonstrated by virtual screening pipeline and in-vitro validation assays.
Gupta Y, Maciorowski D, Zak SE, Jones KA, Kathayat RS, Azizi SA, Mathur R, Pearce CM, Ilc DJ, Husein H, Herbert AS, Bharti A, Rathi B, Durvasula R, Becker DP, Dickinson BC, Dye JM, Kempaiah P. Gupta Y, et al. Among authors: durvasula r. Methods. 2021 Nov;195:57-71. doi: 10.1016/j.ymeth.2021.01.003. Epub 2021 Jan 14. Methods. 2021. PMID: 33453392 Free PMC article.
Antiplasmodial activity of hydroxyethylamine analogs: Synthesis, biological activity and structure activity relationship of plasmepsin inhibitors.
Kumar Singh A, Rajendran V, Singh S, Kumar P, Kumar Y, Singh A, Miller W, Potemkin V, Poonam, Grishina M, Gupta N, Kempaiah P, Durvasula R, Singh BK, Dunn BM, Rathi B. Kumar Singh A, et al. Among authors: durvasula r. Bioorg Med Chem. 2018 Jul 30;26(13):3837-3844. doi: 10.1016/j.bmc.2018.06.037. Epub 2018 Jun 28. Bioorg Med Chem. 2018. PMID: 29983285
Oseltamivir analogs with potent anti-influenza virus activity.
Kumar S, Goicoechea S, Kumar S, Pearce CM, Durvasula R, Kempaiah P, Rathi B, Poonam. Kumar S, et al. Among authors: durvasula r. Drug Discov Today. 2020 Aug;25(8):1389-1402. doi: 10.1016/j.drudis.2020.06.004. Epub 2020 Jun 15. Drug Discov Today. 2020. PMID: 32554062 Review.
119 results