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Micael Davi Lima de Oliveira

Federal University of Amazonas (UFAM)

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Dft Calculations, Molecular Docking, Binding Free Energy Analysis and Cytotoxicity Assay of 7,7-Dimethylaporphine Alkaloids with Methylenedioxy Ring in Positions 1 and 2

Number of pages: 43 Posted: 08 Aug 2023
Adjane Dalvana Sampaio Branches, Jonathas N. da Silva, Micael Davi Lima de Oliveira, Daniel P. Bezzera, Milena B. P. Soares, Emmanoel V. Costa and Kelson M.T. Oliveira
Federal University of Amazonas (UFAM), Federal University of Amazonas (UFAM), Federal University of Amazonas (UFAM), Oswaldo Cruz Foundation (FIOCRUZ), Oswaldo Cruz Foundation (FIOCRUZ), Federal University of Amazonas (UFAM) and Federal University of Amazonas (UFAM)
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7, 7-dimethylaporphine alkaloids, DFT, Molecular docking, binding energy by MM/PBSA, cytotoxicity assay, NBO/NLO