LC–MS/MS metabolite profiling and in vivo antidiabetic, antilipidemic, and hepatoprotective potential of Ipomoea mombassana leaf extract with in silico validation

LC–MS/MS metabolite profiling and in vivo antidiabetic, antilipidemic, and hepatoprotective potential of Ipomoea mombassana leaf extract with in silico validation Lakshmi Rajita. Kotta Department of Pharmacognosy Analysis, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Pallavaram600117, Chennai, Tamil Nadu, India A. Vijayalakshmi Department of Pharmacognosy Analysis, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Pallavaram600117, Chennai, Tamil Nadu, India

Diabetes mellitus, often associated with dyslipidemia and hepatic dysfunction, requires effective plantderived 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 α-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.
2026 2026 23 36 10.29090/psa.2026.01.25.4781 https://pharmacy.mahidol.ac.th/journal/journalabstractDetail.php?jvol=53&jpart=1&jconnum=3