Department of Chemistry, College of Natural and Computational Sciences, Wollega University, Nekemte, Ethiopia
Research Article
Molecular Docking Analysis and Evaluation for Antibacterial Activity of Chemical Constituents From the Stem Barks of Podocarpus falcatus
Author(s): Desalegn Abebe Deresa* and Negera Abdissa
Chromatographic separation of an equal ratio of CH2Cl2-MeOH extract of the stem barks of Podocarpus falcatus led to the isolation of three compounds 1-3. The structures of the compounds were established based on the analysis of 1D and 2D NMR spectroscopic data. Compound 3 was reported from this plant for the first time. The crude extract and isolated compounds were tested for their antibacterial activity using the disk diffusion assay method against five bacteria strains. The crude extract showed strong activity against S. aureus. Compounds 1 and 2 showed relatively moderate activity against S. flexineri and S. typhimurium respectively, whereas, compound 3 demonstrated strong activity against S. aureus. Docking studies were performed against S. aureus Gyrase and human DNA topoisomerase IIβ by using AutoDock Vina. ADMET was predicted by SwissADME, PreADMET. In-silico molecular doc.. View More»
DOI:
10.35248/2329-6836.10.5.01-07
