[Elsevier] Methyl 2-(7-hydroxy-3-methyloctyl)-1,3-dimethyl-4-oxocyclohex-2-enecarboxylate as a natural and potent antitubercular lead: An in silico study integrating molecular docking, molecular dynamics, FMO, and DFT analyses

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journalㄩComputational Biology and Chemistry

AuthorsㄩFathima Asra; Kannan Vadivel; Srikanth Jeyabalan; Srilekha Chintala; Naresh Dumala

Published dateㄩ2026-2-

DOIㄩ10.1016/j.compbiolchem.2025.108691

PDF linkㄩhttps://www.sciencedirect.com/sc ... 476927125003524/pdf

Article linkㄩhttps://doi.org/10.1016/j.compbiolchem.2025.108691

Article SourceㄩElsevier BV


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