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Machine Learning Models Identify Inhibitors of SARS-CoV-2.
Gawriljuk VO, Zin PPK, Puhl AC, Zorn KM, Foil DH, Lane TR, Hurst B, Tavella TA, Costa FTM, Lakshmanane P, Bernatchez J, Godoy AS, Oliva G, Siqueira-Neto JL, Madrid PB, Ekins S. Gawriljuk VO, et al. Among authors: oliva g. J Chem Inf Model. 2021 Sep 27;61(9):4224-4235. doi: 10.1021/acs.jcim.1c00683. Epub 2021 Aug 13. J Chem Inf Model. 2021. PMID: 34387990 Free PMC article.
Discovery of Potent, Reversible, and Competitive Cruzain Inhibitors with Trypanocidal Activity: A Structure-Based Drug Design Approach.
de Souza ML, de Oliveira Rezende Junior C, Ferreira RS, Espinoza Chávez RM, Ferreira LLG, Slafer BW, Magalhães LG, Krogh R, Oliva G, Cruz FC, Dias LC, Andricopulo AD. de Souza ML, et al. Among authors: oliva g. J Chem Inf Model. 2020 Feb 24;60(2):1028-1041. doi: 10.1021/acs.jcim.9b00802. Epub 2019 Dec 11. J Chem Inf Model. 2020. PMID: 31765144
Flavonoids from Pterogyne nitens as Zika virus NS2B-NS3 protease inhibitors.
Lima CS, Mottin M, de Assis LR, Mesquita NCMR, Sousa BKP, Coimbra LD, Santos KB, Zorn KM, Guido RVC, Ekins S, Marques RE, Proença-Modena JL, Oliva G, Andrade CH, Regasini LO. Lima CS, et al. Among authors: oliva g. Bioorg Chem. 2021 Apr;109:104719. doi: 10.1016/j.bioorg.2021.104719. Epub 2021 Feb 11. Bioorg Chem. 2021. PMID: 33636437 Free PMC article.
A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
Noske GD, Nakamura AM, Gawriljuk VO, Fernandes RS, Lima GMA, Rosa HVD, Pereira HD, Zeri ACM, Nascimento AFZ, Freire MCLC, Fearon D, Douangamath A, von Delft F, Oliva G, Godoy AS. Noske GD, et al. Among authors: oliva g. J Mol Biol. 2021 Sep 3;433(18):167118. doi: 10.1016/j.jmb.2021.167118. Epub 2021 Jun 24. J Mol Biol. 2021. PMID: 34174328 Free PMC article. Review.
Non-Toxic Dimeric Peptides Derived from the Bothropstoxin-I Are Potent SARS-CoV-2 and Papain-like Protease Inhibitors.
Freire MCLC, Noske GD, Bitencourt NV, Sanches PRS, Santos-Filho NA, Gawriljuk VO, de Souza EP, Nogueira VHR, de Godoy MO, Nakamura AM, Fernandes RS, Godoy AS, Juliano MA, Peres BM, Barbosa CG, Moraes CB, Freitas-Junior LHG, Cilli EM, Guido RVC, Oliva G. Freire MCLC, et al. Among authors: oliva g. Molecules. 2021 Aug 12;26(16):4896. doi: 10.3390/molecules26164896. Molecules. 2021. PMID: 34443484 Free PMC article.
509 results