Identification of potential inhibitors of human aldose reductase from natural compounds of Vietnamese medicinal plants using in silico approaches

Abstract

Aldose reductase is a crucial component of the polyol pathway and catalyzes the NADPH-dependent reduction of glucose to sorbitol. The high activity of Aldose reductase is involved in the development and pathophysiology of diabetes complications. Therefore, this enzyme has been identified as an important target for treatment of these complications. In this study, we performed in silico investigations on natural compounds derived from Vietnamese medicinal plants to identify potential inhibitors of human Aldose reductase. The results showed that out of 307 compounds, 15 compounds were identified as potential Aldose reductase inhibitors with high docking scores and good pharmacokinetics properties. Among them, eight compounds had been proven to inhibit Aldose reductase. The other seven compounds, including Apigenin-7-O-glucuronide, 4′,7-dihydroxy-3′-methoxyflavan, N-feruloylserotonin, N-(p-Coumaroyl) Serotonin, Rosavin, Apigenin-7,4'-dimethyl ether, and Perlolyrine, should be further investigated to develop potential Aldose reductase inhibitors for the treatment of diabetes complications.

Keywords

• aldose reductase
• diabetic complications
• vietnamese medicinal plants
• molecular docking