Molecular Dynamics Simulations on Quercetin-3-(6-Malonylglucoside) From Morus alba Shows Optimal Inhibition of Bcl-2 with Favorable Anti-Tumor Activities.
Emmanuel Sunday Omirin, Olaposi Idowu Omotuyi, Oluwaseun Grace Afokhume, Ehisdiame Favour Okoh, Samuel Oluwaseun Boboye, Babatunde Oluwaseun Ibitoye, Olabode Oluwagbemiga Adelegan, Ezekiel Abiola Olugbogi, Michael Aladejare Aderiye, Oluwafemi Ojo Agosile
This study identifies Quercetin-3-(6-Malonylglucoside) as a potent Bcl-2 inhibitor from Morus alba through molecular docking and simulations, suggesting its potential for cancer chemotherapy.
bioRxiv · Jul 4, 2023 · PreprintBioinformatics