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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. PLoS One. 2019 Mar 8;14(3):e0213393. doi: 10.1371/journal.pone.0213393. eCollection 2019. PLoS One. 2019. PMID: 30849129 Free PMC article.
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. Front Chem. 2024 Feb 22;12:1336001. doi: 10.3389/fchem.2024.1336001. eCollection 2024. Front Chem. 2024. PMID: 38456183 Free PMC article.
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