Deciphering the DNA-binding affinity, cytotoxicity and apoptosis induce as the anticancer mechanism of Bavachinin: An experimental and computational investigation

One of the most important mechanism by which bioflavonoids can exert their effects in cancer treatment, is through interaction with bio-macromolecules such as DNA. Recent literature emphasizes role Bavachinin (BVC) an emerging anticancer agent. However, there are no reports on its ability to interact The present study investigated DNA binding properties BVC many spectroscopic and computational approaches. evidences provided from UV–visible CD spectral analyses illustrated that interacted ctDNA minor groove mode. Based thermodynamic analyses, it be inferred process was spontaneous, hydrophobic played a major BVC-ctDNA binding. In silico molecular docking dynamic simulation finally strengthened our experimental results located (AT- rich) region B-DNA structure resulted slight alteration secondary during process. Additionally, indicated significant cytotoxicity against MCF-7 breast cells. Furthermore, quantitative demonstrate treatment significantly increased expression pro-apoptotic genes; p53, caspase-3, -8, -9 order further investigate targets BVC, studies relatively good affinity proteins. effect, considered small organic compound property, appropriate cytotoxic activity, potential apoptotic inducing adopted for medical science pharmacy.