Integrated LC–MS-guided phytochemical profiling, molecular docking, and in vitro validation of Sauromatum venosum extracts against colorectal cancer

Abstract

The antioxidant, phytochemical, and anti-colorectal cancer potential of Sauromatum venosum leaf and tuber extracts were investigated using experimental and computational approaches. Hydroalcoholic, aqueous, and ethyl acetate extracts were evaluated using DPPH assay. Hydroalcoholic leaf (L1) and tuber (T1) extracts exhibited superior concentration-dependent antioxidant activity. The LC–MS analysis identified bioactive phytoconstituents, including quinic acid, chlorogenic acid, quercetin, kaempferol, isorhamnetin, and rutin. Molecular docking revealed favorable interactions of these compounds with colorectal cancer-associated targets, particularly quercetin, kaempferol, and isorhamnetin. The T1 extract exhibited the strongest antiproliferative activity against HT-29 and HCT-116 cells, while DAPI staining demonstrated apoptosis-associated nuclear changes. These findings suggest that S. venosum is a promising source of bioactive compounds with potential for the development of future anti-cancer drugs.