Molecular docking reveals strong binding and favorable bioavailability of polyphenolic compounds in A. sanguinolenta, suggesting promising anticancer potential.
Aerva sanguinolenta (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 in silico 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 A. sanguinolenta contains bioactive compounds that may contribute to apoptosis-mediated anticancer effects. Further in vivo and clinical studies are needed to validate these observations and explore therapeutic applications.
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Sarker et al. (2025) studied this question.
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