Vol. 7, Issue 2, Part A (2025)

Diabetes mellitus (DM) is a chronic metabolic disease that can cause significant complications and high mortality worldwide. Efforts are intensifying to find and develop new effective and potentially safe drugs. Nevertheless, both experimental and computational strategies in drug discovery and development are complementary. Therefore, this study was conducted to investigate the antidiabetic potential of methanol extract in vivo. Furthermore, molecular docking of bioactive components identified and quantified by MECE (Methanolic extract of Casearia elliptica) liquid chromatography mass spectrometry (LC-MS) was performed to identify potential effective and safe α-glucosidase inhibitors that could serve as important effective and safe α-glucosidase inhibitors in drug discovery and development. Molecular docking results showed that these components bind strongly to α-glucosidase and achieve better binding affinity with ΔG = -7.2 to -9.6 kcal/mol range for α-glucosidase. This study demonstrated the potential benefits of MECE plant extract and its phytochemicals, which could be studied to develop effective and safe α-glucosidase inhibitors for the treatment of postprandial blood glucose levels in diabetic patients.