Identification and <i>in silico</i> evaluation of polyphenolic compounds from <i>Aerva sanguinolenta</i> (L.) Blume for anticancer potential

<i>Aerva sanguinolenta</i> (L.) Blume is a traditionally used medicinal plant with potential anticancer properties. This study aimed to identify polyphenolic compounds from its crude methanolic extract (CME) using HPLC and evaluate their anticancer potential through <i>in silico</i> analyses. HPLC analysis revealed seven known polyphenolic compounds, including kaempferol, quercetin, and myricetin. Molecular docking against Caspase-3 (PDB ID: 1NME) showed strong binding affinities, with Quercetin exhibiting the highest score (- 6.1 kcal/mol). Pharmacokinetic profiling using SwissADME indicated favourable oral bioavailability for all compounds, while ProTox-III online server predicted low toxicity for most. PASS online analysis supported their antioxidant and antineoplastic potential. These findings suggest that <i>A. sanguinolenta</i> contains bioactive compounds that may contribute to apoptosis-mediated anticancer effects. Further <i>in vivo</i> and clinical studies are needed to validate these observations and explore therapeutic applications.