Molecular Docking Reveals Phytoconstituents of the Methanol Extract from Muntingia calabura as Promising α-Glucosidase Inhibitors
Nurlena Andalia, Muhammad N Salim, Nurdin Saidi, Muhammad Ridhwan, Muhammad Iqhrammullah, Ummu Balqis
Abstract
Inhibition of α-glucosidase has been used as a management of type 2 diabetes mellitus, where studies are focused on finding more efficacious and safe drugs. Herein, the research aimed to unveil the potential of phytoconstituents contained in methanol extract of Muntingia calabura leaves in inhibiting α-glucosidase through molecular docking simulation. From a systematic search (Scopus), we found 5 eligible articles and identified 28 phytocompounds. Fisetin, pinostrobin, and rhamnetin identified in M. calabura extract were predicted to have good bioavailability. Finally, fisetin was revealed as the most potential α-glucosidase inhibitor candidate with a binding affinity of -7.5 kcal/mol.