Exploring the Antidiabetic Potency of Phytochemicals of Acacia arabica– A Molecular Docking Approach
Year: 2025
Type: article
Abstract: Diabetes mellitus (DM) is a metabolic disease that is concerned with the increased sugar level in the blood. Recent studies show that diabetes affects 643 million humans and is one of the most common chronic diseases that lead to complications in human health. In the present work, an attempt has been made to investigate the binding of phytochemicals derived from Acacia arabica in inhibiting oxidoreductase, alpha-amylase, and aldose reductase proteins to control Diabetes mellitus. Molecular docking studies have been carried out for 18 phytochemicals derived from Acacia arabica against the oxidoreductase, alpha-amylase, and aldose reductase proteins using AutoDock 4.2. An analysis of binding affinity, intermolecular interactions such as hydrogen bonding and hydrophobic contacts, and drug-likeness properties for all 18 phytochemicals have been carried out. It is found that the Catachin 5-gallate binds perfectly to the three proteins under study, viz oxidoreductase, alpha-amylase, and aldose reductase proteins, and have binding energies of -7.70, -10.0, and -13.90 kcal/mol respectively. The obtained results can be used to design a molecule that inhibits the proteins related to the causing of Diabetes mellitus.
Language: English
Subfield: Endocrinology, Diabetes and Metabolism
Field: Medicine
Domain: Health Sciences
Open Access status: diamond
OpenAlex ID: W4411145514