Identification and validation of Hydroxychavicol from Betel leaf as a promising Breast cancer inhibitor - An in vitro and in silico analysis

Aim: Identification of promising Breast cancer inhibitors through in vitro and in silico studies. Background: Piper betel. L. is a traditional herbal, used for varied ailments. Objective: The present investigationis designed to evaluate the anti-carcinogenic potency of HC against MCF-7 cell line using in vitroanalysis. Furtherin silicoexamination to detect and formulate protein-ligand complex of HC using Molecular Docking technique. Methods: In vitro study was conducted, using MTT assay and microscopic examinations to determine the cell viability and morphological demolitions on MCF-7 cells. In silico,scrutinizes were performed, using virtual screening, docking, ADME, DFT analysis, MMGBSA, and Molecular dynamic simulation to appraise hydroxychavicol stability. Results: HC showed an outstanding anticancer potential, with dose and time dependant patterns in MTT assay and through the fluctuating organization of MCF-7 cells. Insilico analysis, results showed that the selected lead compound-complex exhibited good stability and a highly potent inhibitor to the target breast cancer protein. Conclusion: This study is evident to consider HC as an alternate potential inhibitor.