Journal of Biomolecular Structure and Dynamics · 2020 · 37 citations · 65 references
Life SciencesBiochemistryBotanyMass Spectrometric AnalysisPlant BiochemistryStructure-activity RelationshipsMangrove EcologyMedicinal PlantsPhenolic Compound AnalysisAnticancer ActivityAnticancer Compound ScreeningBioactivity ScreeningMangrove EcosystemsPharmacological ScreeningPhenolic CompoundsPhenolic Content AnalysisPlant Phenolics
) for these two molecules are 110 and 8.75 μM, respectively. The MD simulation additionally supported that quercetin molecule is significantly improved the structural stability of Bcl-B protein. The present study provides key insights about the importance of polyphenols, and thus leads to open the therapeutic route for anti-cancer drug discovery process.Communicated by Ramaswamy H. Sarma.
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GROMACS: Fast, flexible, and free
David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations
Natural Sciences, Chemistry, Physics +17