فهرست نشریات علمی دسترسی آزاد ایران

This study aims to evaluate the antidiabetic potential of Lantana camara by integrating phytochemical analysis, computational modeling, and pharmacokinetic prediction. Given the global burden of Type 2 Diabetes Mellitus (T2DM) and the limitations of current therapies, the search for safer plant-based multitarget therapeutics is critical. A hydroalcoholic extract of Lantana camara was prepared using Soxhlet extraction, followed by comprehensive physicochemical and microbial evaluations to ensure its quality and safety. Phytochemical profiling via LC-HRMS identified the major bioactive compounds, including quercetin-3-O-glucoside, rutin, chlorogenic acid, feruloyltyramine, ursolic acid, and dioscin. LC-HRMS analysis revealed well-resolved chromatographic peaks with retention times ranging from 1.38 to 32.82 min, a high extraction yield (11.5%), and reproducible profiling, ensuring the accuracy of metabolite identification. Molecular docking studies were conducted to assess the interactions of these compounds with four key antidiabetic targets, such as glucokinase (1V4S), alpha-amylase (3BAX), alpha-glucosidase (3WY2), and dipeptidyl peptidase IV (2P8S). Several compounds demonstrated higher binding affinity than native ligands, with dioscin (−10.1 kcal/mol) and feruloyltyramine (−9.3 kcal/mol) emerging as potent inhibitors. In silico ADMET analysis using SwissADME and ADMETlab 3.0 revealed that feruloyltyramine and epicatechin exhibited favorable drug-likeness, absorption, low toxicity, and compliance with the major pharmacokinetic rules. The extract also showed a high yield (11.5%) and rich phytochemical profile, with no microbial contamination or heavy metal residues. These findings confirmed the presence of multiple pharmacologically active constituents with the potential for multitarget inhibition relevant to glucose metabolism. In conclusion, Lantana camara demonstrates significant promise as a natural source of antidiabetic agents, and its bioactive phytoconstituents may serve as lead compounds for the development of safe, plant-derived therapeutics for T2DM.