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In-Silico and In-Vitro Evaluation of Polyherbal Formulation for Anticancer Activity Against Non-Small Cell Lung Cancer
Corresponding Author(s) : B.Edwin jose
International Journal of Allied Medical Sciences and Clinical Research,
Vol. 14 No. 4 (2026): 2026 Volume 14-Issue 4
Abstract
Background: Non-small cell lung cancer (NSCLC) remains a major cause of cancer-related mortality. Plant-derived constituents are being investigated as sources of compounds with potential effects on cancer-cell viability and migration. This study evaluated a combined methanolic leaf extract prepared from Azadirachta indica, Ficus racemosa and Aegle marmelos (AFAE) using phytochemical screening, thin-layer chromatography (TLC), molecular docking and in-vitro assays.
Methods: Leaves were collected and authenticated, shade-dried, powdered and extracted using methanol by Soxhlet extraction. The combined extract was screened for major phytochemical groups and analysed by TLC. Quercetin was docked against fibroblast growth factor receptor 4 (FGFR4; reported PDB ID 5JKG) using CB-Dock 2/AutoDock Vina-based scoring. Cytotoxicity in A549 lung adenocarcinoma cells was assessed by MTT assay after 48 h. Cell migration was assessed by scratch/wound-healing assay, and cellular morphology was examined using acridine orange/ethidium bromide (AO/EtBr) staining.
Results: Phenols, tannins, glycosides and quinones were strongly detected (+++); flavonoids were moderately detected (++); coumarins, alkaloids and saponins were detected at lower qualitative levels (+). The TLC profile indicated flavonoid/phenolic constituents. Quercetin showed a docking score of −7.9 kcal/mol, compared with −8.4 kcal/mol for fisogatinib. AFAE reduced A549 cell viability in a concentration-dependent manner, from 98.45% at 12.5 µg/mL to approximately 19.66% at 200 µg/mL, with a reported IC₅₀ of 119.21 µg/mL. At 48 h, wound closure was 78.31% in controls and 61.95% and 62.77% at 20 and 40 µg/mL, respectively. AO/EtBr staining showed changes consistent with apoptosis and membrane-compromised cell death.
Conclusion: The findings provide preliminary in-vitro and computational evidence of cytotoxic and antimigratory activity of AFAE against A549 cells. The formulation requires further chemical standardisation, mechanistic validation, toxicity testing and in-vivo evaluation before any therapeutic conclusions can be drawn.