IDENTIFICATION AND VALIDATION OF PALUSTRIC ACID AND ANDROGRAPHOLIDE FROM OCIMUM BASILICUM LEAF AS A PROMISING BREAST CANCER INHIBITOR: AN IN-VITRO AND IN-SILICO ANALYSIS

This study aimed at identifying promising breast cancer inhibitors through in-vitro and in-silico studies. Ocimum basilicum. L is a traditional herb used for varied ailments. The present study is designed to evaluate the anti-carcinogenic potency of Palustric acid and Andrographolide against the MCF-7 cell line by in-vitro analysis. Further in-silico examination was performed to detect and formulate Receptor-ligand complex of estrogen using molecular docking technique. In-vitro study was conducted using MTT assay and microscopic examinations to determine the cell viability and morphological changes in MCF-7 cells. In-silico, scrutiny was performed using virtual screening, Docking, ADME, and molecular dynamic simulation to evaluate the stability of the compounds. Palustric acid and Andrographolide against the MCF-7 cell line by in-vitro analysis. Further in-silico examination was performed and showed an outstanding anti-cancer potential, with dose- and time-dependent patterns in MTT assay and through the fluctuating organization of MCF-7 cells. In-silico analysis showed that the selected lead compound-complex exhibited good stability and was a highly potent inhibitor against the target breast cancer receptor. This study confirmed that Palustric acid and Andrographolide might be an alternate potential inhibitor against breast cancer.