Potential of single bulb garlic (Allium sativum) active compound as an 11β-HSD1 inhibitor in obesity through in silico method

Abstract

Obesity is a chronic condition of excess body fat accumulated, which can cause interference healthy. Indonesian prevalence of obesity in 2018 is 31% and is predicted to increase annually. Obesity is caused by excess calories and sugar, which affect high 11β-HSD1 activity in sugar metabolism regulated by glucocorticoids; however, that activity can be inhibited by providing an 11β-HSD1 inhibitor. Alliin, allicin, and ajoene from single bulb garlic (Allium sativum) can inhibit 11β-HSD1. The present research aims to predict alliin, allicin, and ajoene as an 11β-HSD1 inhibitor for obesity drugs candidate using in silico method. The research was done by using physicochemical properties analysis, PA test, pharmacokinetics test, and molecular docking of alliin, allicin, ajoene, and control drug BVT-2733. The results showed that alliin, allicin, and ajoene have good oral bioavailability, antioxidant potential, lipoprotein disorders treatment, and lipid metabolism regulator. Based on pharmacokinetics test absorption, distribution and excretion are high, and the toxicity is low. The molecular docking shows the same binding site and amino acid residue with control drug BVT-2733. The type of bond formed is hydrogen and hydrophobic bond. This research concluded that single bulb garlic has the potential to be an oral drug candidate for treating obesity.