Molecular Docking Studies of Phytochemical substances of Soybean (Glycine max) seed and Ginger (Zingiber officinale) rhizome on Aldose Reductase and NADPH Oxidase-1 that plays a role in Diabetic complication

The enzyme aldose reductase (AR) and NADPH oxidase-1 (NOX-1) are implicated in the diabetic complications through the increasing of free radicals on a polyol pathway. Inhibitory activity of AR and NOX-1 prevent stress oxidative and tissue damages by the reducing of free radical activity. Glycine max (G. max) and Zingiber officinale (Z. officinale) are functional food that a rich in content of phytosterol and terpenoid respectively. However, their potency to prevent oxidative stress through inhibitory activity both of AR and NOX-1 have not been completely reported. The study aims to evaluate inhibitory activity of phytosterol from G.max seed extract and terpenoid from Z. officinale rhizome on both of AR and NOX-1 through in silico study. Both of G. max and Z. officinale were extracted using ethanol solvent and heated to 40°C. Therefore, phytochemical substances in the extract were identified by Liquid Chromatography-tandem Mass Spectrometry (LC-MS/MS). Inhibitory activity of phytochemical compounds on both of AR and NOX-1 was evaluated by in-silico using web-based software (Docking server). Ethanolic extract of G. max was identified four phytosterol compounds, there is stigmasterol, β-sitosterol, campesterol and lanosterol, meanwhile on Z. officinale exist 6-gingerdiol, 10-gingerol and 12-shogaol. Molecular docking study showed β-sitosterol and 12-shogaol strongly inhibit AR activity while lanosterol and 6-gingerdiol strongly inhibit NOX-1. This indicates that both soybean seed and ginger rhizome potentially prevent diabetic complication by inhibiting AR and NOX-1; however, soybean seed more potent since its activity to inhibit both of the tested enzymes.