| DOI: 10.29090/psa.2026.01.25.4781 | Pharm Sci Asia 2026; 53(1), 23-36 |
LC–MS/MS metabolite profiling and in vivo antidiabetic, antilipidemic, and hepatoprotective potential of Ipomoea mombassana leaf extract with in silico validationLakshmi Rajita. Kotta, A.Vijayalakshmi*
- Department of Pharmacognosy Analysis, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Pallavaram-600117, Chennai, Tamil Nadu, India.
Diabetes mellitus, often associated with dyslipidemia and hepatic dysfunction, requires effective plant-derived therapeutics. This study evaluated the metabolite profile and pharmacological potential of the ethanolic leaf extract of Ipomoea mombassana Vatke (IMLE). LC-MS/MS profiling identified 37 phytochemicals, including flavonoids, alkaloids, terpenoids, and two previously unreported compounds, zinnimidine and cinncassiol A 19-glucoside. Molecular docking demonstrated strong inhibitory activity of key metabolites against ?-amylase, with binding energies ranging from -7.6 to -9.8 kcal/mol. Tephrosin exhibited the most favorable binding (-9.8 kcal/mol), stabilized by hydrogen bonds with HIS305 (74.9% occupancy) and TRP59 (52.2%). Molecular dynamics simulations (100 ns) confirmed complex stability, with protein RMSD ~0.18 nm, ligand RMSD 0.04-0.07 nm, and average MMGBSA free energy –50.73 kcal/mol. In vivo, IMLE (200 mg/kg) significantly reduced fasting blood glucose from 344 ± 1.6 to 180 ± 3.9 mg/dL (?48%; p<0.001), comparable to metformin (175 ± 7.1 mg/dL), and improved oral glucose tolerance. Dyslipidemia was corrected, with total cholesterol reduced by 38%, triglycerides by 35%, LDL-C by 68%, and HDL-C increased by 79% (all p<0.001). Elevated SGOT and SGPT were reduced (71 42 U/L; 87 51 U/L; p<0.001). Antioxidant markers (SOD, CAT, GSH) increased ~3-fold, while MDA decreased ~65% (p<0.001). Histopathology confirmed reversal of pancreatic and hepatic damage. Overall, integrated LC-MS/MS profiling, docking, molecular dynamics, and in vivo studies establish I. mombassana as a promising candidate for the management of diabetes and associated metabolic disorders.
Keyword:
Ipomoea mombassana; LC-MS/MS; Tephrosin; Antidiabetic activity; Antilipidemic activity; Hepatoprotective effect; Molecular docking; Molecular dynamics simulation
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