Abstract
BACKGROUND: The growing incidence of cancer worldwide necessitates the development of novel, effective, and affordable antineoplastic drugs. Clinacanthus nutans, an ethnomedicinal plant known for its diverse pharmacological properties, has shown promising anticancer potential. This study investigates the anticancer, anti-inflammatory, and antioxidant activities of a fraction isolated from Clinacanthus nutans leaves. RESULTS: Quantification of the total phenolic content of CNM.CF5.5 revealed a substantial presence of phenolic compounds. Antioxidant potential, assessed through DPPH, FRAP, and ABTS assays, demonstrated a clear dose-dependent increase in activity. The BSA denaturation assay further indicated marked anti-inflammatory effects, comparable to those of the diclofenac sodium standard. Cytotoxic evaluation by MTT assay confirmed potent growth inhibition of MCF-7 and A549 cells, with IC₅₀ values of 61.67 µg/mL and 81.62 µg/mL, respectively. HR-LCMS profiling of CNM.CF5.5 identified a diverse array of phytochemicals. Subsequent molecular docking studies, performed using the Maestro interface of the Schrödinger Suite, revealed favorable binding interactions between ligands from the fraction and cancer-associated proteins. Notably, vitexin and isovitexin exhibited strong interactions with CDK1, CDK2, and human NAD[P]H-quinone oxidoreductase, supporting their potential role as key anticancer constituents of the fraction. CONCLUSION: These findings support the potential of CNM.CF 5.5 bioactives as suitable agents in cancer therapy.