In-vitro and in-silico evaluation of anticancer potential of Oxalis corniculata

Abstract

Plant secondary metabolites have been gaining significant attention as potential cancer therapeutics in recent years. In several cases, these are present in plants that are commonly found in the surrounding environment. This study explores the anticancer properties of the methanolic extract of Oxalis corniculata, a common creeper plant known to have medicinal properties. The phytochemical characterization of the extract was performed by biochemical tests and gas chromatography mass spectrometry (GCMS). Cytotoxicity studies on the HCT-116 cell line have shown that the extract can inhibit cell proliferation with an IC₅₀ value of 119.498 µg/mL. Through molecular docking and molecular dynamics simulation, it has been observed that two constituents of the extract namely Desulphosinigrin and d-Glycero-d-ido-heptose exhibit strong and specific interactions with the caspase binding site of the X-linked inhibitor of apoptosis protein (XIAP). Thus, these compounds may be capable of inhibiting XIAP in the cellular environment, thereby promoting apoptosis, resulting in the death of cancer cells.