Elucidating the Anticancer Properties of Clinacanthus nutans: An <i>In silico</i> and <i>In vitro</i>-Based Approach Targeting Breast and Lung Cancer

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 crude methanolic extract of C. nutans leaves. The total phenolic content of the extract was quantified, revealing significant phenolic concentrations. The DPPH, FRAP and ABTS assays demonstrated a dose-dependent increase in antioxidant activity. The BSA denaturation assay indicated substantial anti-inflammatory effects comparable to the diclofenac sodium standard. The MTT assay ascertained strong inhibition of MCF-7 and A549 cells. Flow cytometry analysis of the same cell lines treated with CNM extract at their respective IC[Formula: see text] concentrations (25.02 [Formula: see text]g/ml for MCF-7 and 22.7 [Formula: see text]g/ml for A549 cells) showed a higher population of cells at their early and late apoptotic stage in the case of MCF-7 and necrotic stage in the case of A549 cells. Differentially expressed genes (DEGs) between breast and lung cancer datasets revealed many common overexpressed genes. GC-MS analysis of CNM revealed the presence of a wide range of phytochemicals. Molecular docking of these ligands with proteins, found to be overexpressed during the DEG analysis and involved in cancer progression, was carried out using Maestro from Schrodinger Suite, and resulted in good interactions. Protox 3.0 and QIKPROP module analyses were also utilized to evaluate the ADMET and drug-likeness properties of CNM phytochemicals. These findings support the potential of CNM bioactives as suitable agents in cancer therapy.