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

Abstract

Identification of promising Breast cancer inhibitors through in vitro and in silico studies. Piper betel. L. is a traditional herbal, used for varied ailments. 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. 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. 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. This study is evident to consider HC as an alternate potential inhibitor.