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1,2,4-Oxadiazole Derivatives: Physicochemical Properties, Antileishmanial Potential, Docking and Molecular Dynamic Simulations of Leishmania infantum Target Proteins.
Barbosa DCS, Holanda VN, Lima EMA, Cavalcante MKA, Brelaz-de-Castro MCA, Chaves EJF, Rocha GB, Silva CJO, Oliveira RN, Figueiredo RCBQ. Barbosa DCS, et al. Among authors: rocha gb. Molecules. 2024 Sep 30;29(19):4654. doi: 10.3390/molecules29194654. Molecules. 2024. PMID: 39407583 Free PMC article.
A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers.
Rocha REO, Chaves EJF, Fischer PHC, Costa LSC, Grillo IB, da Cruz LEG, Guedes FC, da Silveira CH, Scotti MT, Camargo AD, Machado KS, Werhli AV, Ferreira RS, Rocha GB, de Lima LHF. Rocha REO, et al. Among authors: rocha gb. J Biomol Struct Dyn. 2022;40(19):9214-9234. doi: 10.1080/07391102.2021.1924271. Epub 2021 May 10. J Biomol Struct Dyn. 2022. PMID: 33970798 Free PMC article.
45 results