IDENTIFICATION OF LC-MS/MS AND DOCKING ANALYSIS OF TOPOISOMERASE IIΑ INHIBITION FROM KRATOM LEAVES (MITRAGYNA SPECIOSA) AS POTENTIAL ANTICANCER AGENTS
DOI:
https://doi.org/10.22159/ijap.2025.v17s1.18Keywords:
Alkaloid, Anticancer, Chemical profile, Docking, Kratom, LC-MS/MS, TopoisomeraseAbstract
Objective: This study aimed to determine the metabolite content of kratom leaves using LC-MS/MS and their activity to inhibit topoisomerase IIα were predicted using molecular docking.
Methods: Chemical profile based on LC-MS/MS on an ethanol extract of kratom leaves sub-extracts obtained by partitioning with n-hexane and ethyl acetate solvents. The chemical profile was predicted for its anticancer activity in inhibiting topoisomerase IIα using Autodock Vina.
Results: The LC-MS/MS results showed 25 compounds identified from the extracts and sub-extracts. The three compounds with the highest affinity for inhibiting topoisomerase IIα were rutin, 5(S)-5-carboxystrictosidine, procyanidin with energy binding scores (ΔG) of 10.78, 10.74, and 10.10 kcal/mol, respectively.
Conclusion: The findings indicated the fact that the alkaloid group compounds were the dominant compounds found in kratom leaves and had a strong potential to inhibit topoisomerase IIα.
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