Potential cytotoxic activities of trihydroxy fatty acid-enriched fractions from Abelmoschus sagittifolius root against leukaemia: an integrated in vitro and in silico study.
This study revealed an integrated investigation of the cytotoxic potential targeting leukaemia of an active fraction, enriched in (9Z)-5,8,11-trihydroxyoctadec-9-enoic acid (OA), obtained from Abelmoschus sagittifolius roots, a promising Vietnamese traditional plant. OA-enriched fraction exhibited moderate cytotoxic activity against Molt4 cancer cell line (IC50 = 42 µg/mL), showing greater sensitivity compared to K562, U937, THP1, and Jurkat cancer cell lines. Network pharmacology results suggested that OA might exhibit its anti-leukaemia activity primarily via altering the PI3K/Akt signalling pathway. Molecular docking further demonstrated strong binding affinities of OA towards ESR1, PPARG, and PIK3CA, mediated by hydrogen bonding and hydrophobic interactions. Besides, simulated digestion studies indicated the limited bioavailability and bioaccessibility of OA. The ADMET study also indicated that OA is suited as a lead or bioactive component in standardised functional foods or phytopharmaceuticals than a systemic small-molecule drug. Further research should be done to confirm its therapeutic uses for developing functional and nutraceutical supplements.