GC–MS Profiling of Bioactive Compounds from Oxalis latifolia Leaves: Integrated in silico and in vitro Evaluation of Antidiabetic Potential

Abstract

Diabetes mellitus is a significant global metabolic illness necessitating the creation of safer and more effective treatment medicines. This study aimed to evaluate the antidiabetic potential of Oxalis latifolia leaf ethanolic extract using an integrated approach of GC–MS profiling, in silico molecular docking and in vitro enzyme inhibition assays. GC–MS study showed 22 bioactive chemicals, with n-hexadecanoic acid, 9- oximino-2,7-diethoxyfluorene and echitamine as main ingredients. Molecular docking demonstrated robust interactions between chosen phytocompounds and diabetes-associated target enzymes, with binding affinities between −3.8 and −8.5 kcal/mol. Echitamine and 9-oximino-2,7-diethoxyfluorene demonstrated the highest affinity for α-glucosidase (−8.5 kcal/mol), indicating significant inhibitory potential. In vitro studies exhibited moderate inhibition of αglucosidase and α-amylase, with IC₅₀ values of 183.25 µg/mL and 226.73 µg/mL respectively in contrast to acarbose (46.12 µg/mL and 44.57 µg/mL). The data collectively suggest that Oxalis latifolia exhibits significant antidiabetic activities, underscoring its potential as a natural resource for future pharmacological research.