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Phthalimide analogs for antimalarial drug discovery.
Bansal M, Upadhyay C, Poonam, Kumar S, Rathi B. Bansal M, et al. Among authors: kumar s. RSC Med Chem. 2021 Aug 13;12(11):1854-1867. doi: 10.1039/d1md00244a. eCollection 2021 Nov 17. RSC Med Chem. 2021. PMID: 34825184 Free PMC article. Review.
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: kumar d, kumar a. 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
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. 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.
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: kumar s. 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.
Drug repurposing against SARS-CoV-2 using computational approaches.
Kumar S, Kovalenko S, Bhardwaj S, Sethi A, Gorobets NY, Desenko SM, Poonam, Rathi B. Kumar S, et al. Drug Discov Today. 2022 Jul;27(7):2015-2027. doi: 10.1016/j.drudis.2022.02.004. Epub 2022 Feb 10. Drug Discov Today. 2022. PMID: 35151891 Free PMC article. Review.
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