Cytotoxic potential of Commicarpus plumbagineus extracts against liver cancer cell lines through In-Vitro and In-Silico methods

Hepatocellular carcinoma holds the fifth position in terms of worldwide cancer prevalence. The challenges posed by drug adverse effects and resistance associated with existing anticancer therapies underscore the importance of exploring natural sources for potential solutions. This study assessed the in-vitro cytotoxicity of a range of solvent extracts (n-hexane, ethyl acetate, and methanol) against liver cancer cell lines using (3-(4,5-Dimethylthiazol-2yl)-2,5-Diphenyltetrazolium Bromide) (MTT) assay. The bioactive extract was also examined for its impact on cell migration and subjected to in-silico predictions targeting 14 different protein targets. The results indicated that only the ethyl acetate (F2) extract was cytotoxic. The IC 50 values for the F2 were 300, 320 and 318 mu g/mL against HepG2, HuH7, and normal HUVECs cell lines, respectively. A significant reduction in the % relative migration of cells following treatment with 87.5 mu g/mL of F2 extract was observed. The apoptotic potential of F2 was seen on HepG2 cells using the DAPI and AO/EtBr staining. The F2 extract underwent GC -MS analysis, uncovering the existence of 23 phytocompounds, which were subsequently employed in molecular docking studies. Loperamide, <acute accent>a-Sitosterol, and stigmasterol exhibited the highest binding affinity (-10.90 kcal/mol) for 4WEV and 4NOS. These phytochemicals from the F2 extract hold potential as promising drug candidates for liver cancer, subject to further validation.