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Chemical profile of Lippia thymoides, evaluation of the acetylcholinesterase inhibitory activity of its essential oil, and molecular docking and molecular dynamics simulations.
Silva SG, da Costa RA, de Oliveira MS, da Cruz JN, Figueiredo PLB, Brasil DDSB, Nascimento LD, Chaves Neto AMJ, de Carvalho Junior RN, Andrade EHA. Silva SG, et al. Among authors: brasil ddsb. PLoS One. 2019 Mar 8;14(3):e0213393. doi: 10.1371/journal.pone.0213393. eCollection 2019. PLoS One. 2019. PMID: 30849129 Free PMC article.
Spectroscopic methods and in silico analyses using density functional theory to characterize and identify piperine alkaloid crystals isolated from pepper (Piper Nigrum L.).
Alves FS, Rodrigues Do Rego JA, Da Costa ML, Lobato Da Silva LF, Da Costa RA, Cruz JN, Brasil DDSB. Alves FS, et al. Among authors: brasil ddsb. J Biomol Struct Dyn. 2020 Jun;38(9):2792-2799. doi: 10.1080/07391102.2019.1639547. Epub 2019 Jul 15. J Biomol Struct Dyn. 2020. PMID: 31282297
Harnessing Brazilian biodiversity database: identification of flavonoids as potential inhibitors of SARS-CoV-2 main protease using computational approaches and all-atom molecular dynamics simulation.
da Rocha JAP, da Costa RA, da Costa ADSS, da Rocha ECM, Gomes AJB, Machado AK, Fagan SB, Brasil DDSB, Lima E Lima AH. da Rocha JAP, et al. Among authors: brasil ddsb. Front Chem. 2024 Feb 22;12:1336001. doi: 10.3389/fchem.2024.1336001. eCollection 2024. Front Chem. 2024. PMID: 38456183 Free PMC article.
Study of molecular interactions between Chitosan and Vi Antigen.
Silva NF, da Silva RL, Almeida KO, Nascimento-Júnior AESD, Brasil DDSB, Silva-Júnior JOC, Teixeira FM, Ribeiro-Costa RM. Silva NF, et al. Among authors: brasil ddsb. J Mol Graph Model. 2017 Mar;72:148-155. doi: 10.1016/j.jmgm.2016.12.015. Epub 2016 Dec 31. J Mol Graph Model. 2017. PMID: 28092833