Analysis of Anti-cancer Potential of Solanum Virginianum L. extract of fruit and leaf by using In Vitro and In Silico Studies

Solanum virginianum L. has been recognized as a traditional medicinal plant within Ayurveda. Aim: This study aimed to investigate the anticancer properties of S. virginianum through both in vitro and in silico methodologies. Methods: The fruit and leaves of the plant underwent hot extraction utilizing methanol and water as solvents. A cytotoxicity assay was conducted on the MCF-7 (Adenocarcinoma breast cancer cell line) and HEK-293 (Human embryonic kidney cell line—a normal cell line). Additionally, cell migration inhibition assays and colony formation assays were performed specifically on the MCF-7 cell line. The leaf aqueous extract was analyzed using HR-LCMS/MS to identify various phytocompounds. The in-silico analysis involved assessing the binding affinity between nine selected phytocompounds and specific apoptotic target proteins. Results: Among all tested extracts, the leaf aqueous extracts exhibited notable efficacy, with an IC50 concentration of 10.4 ± 1.13 µg/mL at the 72-hour incubation period. The leaf aqueous extract also demonstrated significant performance in the cell migration inhibition and colony-forming assays compared to the fruit extracts. Metabolite identification in the aqueous leaf extract through HR-LCMS/MS revealed the presence of over 30 phytocompounds. Nine chosen phytocompounds were characterized for their capacity to bind to specific apoptotic target proteins. Of the docked compounds, ritterazine A exhibited exceptionally strong binding, with a binding energy exceeding -9 kcal/mol across all target proteins. Conclusion: This study concludes that the leaf of S. virginianum possesses potent anti-cancer properties. Moreover, there exists a promising avenue for extensive research into the therapeutic applications of this plant in the treatment of breast cancer.