Convolvulus althaeoides as a Potential Natural Source in Cancer Prophylaxis and Treatment: LC-ESI-MS/MS, GC-MS, In Vitro, and In Silico Investigations.

The current study aims to assess the potential relevance of the successive fractions, n-hexane and ethyl acetate (EtOAc) of Convolvulus althaeoides in cancer management. Our study demonstrated significant in vitro cytotoxic activity with IC50 values of 5.8, 2.5, and 2.8 for EtOAc and 7.1, 5.3, and 5.3 µg/mL for n-hexane against HepG-2, MCF-7, and HCT-116, respectively, comparable to doxorubicin (4.8, 5.6, and 6.5 µg/mL), with a higher IC50 against normal human cell line. EtOAc and n-hexane fractions exhibited substantial antioxidant using DPPH (97.22% and 90.12%, respectively) and moderate anti-inflammatory properties by HRBC method (34.95% and 41.9%, respectively). LC-ESI-MS/MS analysis of EtOAc fraction revealed 41 peaks with varied chemical structures, indicating its richness of phenolic compounds. GC-MS of n-hexane fraction indicated an abundance of noteworthy fatty acids, phytol, and phytosterols. The in silico results showed good pharmacophore features and docking scores for some of the identified compounds on ERR-3 (quercetin-3-O-pentoside -11.497), microtubule (rutin -10.801), and tubulin (quercetin-3-O-glucoside -7.113).