Investigation of Anti-cancer Potential of <i>Solanum virginianum</i> L. Fruit and Leaf Extracts by <i>In Vitro</i> and <i>In Silico</i> Studies

Abstract

Background: Solanum virginianum L. is used as an ancient medicinal plant in Ayurveda. Aim: The present study aimed to elucidate the anticancer properties of S. virginianum through in vitro and in silico studies. Methods: The plant’s fruits and leaves were subjected to hot extraction using methanol and water as a solvent. The cytotoxicity assay was carried out on MCF-7 (Adenocarcinoma breast cancer cell line) and HEK-293 (Human embryonic kidney cell line—a normal cell line). Cell migration inhibition assay and colony formation assay were performed conform on the MCF-7 cell line. The leaf aqueous extract was subjected to HR-LCMS/MS to evaluate different phytocompounds. The in silico study was performed by checking the binding affinity between NINE-selected phytocompounds and specific apoptotic target proteins. Results: Amongst all extracts, the leaf aqueous extracts showed promising results, as at the 72-h incubation period, the IC50 concentration was 10.4 ± 1.13 μg/mL. Leaf aqueous extract also showed significant results in cell migration inhibition assay and colony-forming assay as compared to fruits. Finding metabolites in aqueous leaf extract was done using HR-LCMS/MS, which revealed the presence of more than 30 phytocompounds. Nine selected phytocompounds were characterized for their ability to bind to specific apoptotic target proteins. Out of the selected compounds docked, ritterazine A showed very strong binding with a binding energy of above -9kcal/mol with all the target proteins. Conclusion: Based on this study, we can conclude that the leaf of S. virginianum has potent anti-cancer activities. Furthermore, there is potential for doing comprehensive research on the therapeutic applications of this plant in breast cancer treatment.