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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: sharma pp. 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
Synthesis of alkynylated 1,2,4-oxadiazole/1,2,3-1H-triazole glycoconjugates: Discovering new compounds for use in chemotherapy against lung carcinoma and Mycobacterium tuberculosis.
Melo de Oliveira VN, Flávia do Amaral Moura C, Peixoto ADS, Gonçalves Ferreira VP, Araújo HM, Lapa Montenegro Pimentel LM, Pessoa CDÓ, Nicolete R, Versiani Dos Anjos J, Sharma PP, Rathi B, Pena LJ, Rollin P, Tatibouët A, Nascimento de Oliveira R. Melo de Oliveira VN, et al. Among authors: sharma pp. Eur J Med Chem. 2021 Aug 5;220:113472. doi: 10.1016/j.ejmech.2021.113472. Epub 2021 Apr 18. Eur J Med Chem. 2021. PMID: 33940463
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. 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
288 results