Molecular Docking Study from Lunacridine, Scopoletin and Skimmianine as Antidiabetes through α-Glucosidase Inhibitor. (November 2019)

• Record Type: Journal Article
• Authors: Adriani, ; Noorhamdani, ; Winarsih, S; Ardyati, T
• Is Part Of: Journal of physics. Volume 1374(2019)
• Publication Date: 2019-11
• Subjects: Lunacridine -- scopoletin -- skimmianine -- α-glucosidase inhibitor -- docking; Physics -- Congresses; 530.5
• DOI: 10.1088/1742-6596/1374/1/012026
• Languages: English
• ISSNs: 1742-6588

Abstract

Abstract: Diabetes is a metabolic syndrome disease characterized by hyperglycemia in patients. The use of medicinal plants for the treatment of diabetes can control blood levels because it contains anti-diabetic active substances. The medicinal plant as an anti-diabetic through inhibition of the α-glucosidase enzyme thereby reducing the absorption of glucose in the small intestine. Lunacridine, skimmianine and scopoletin are found in the Rutaceae family but there is no information about them as α-glucosidase inhibitors. The purpose of the study to determine the ability of lunacridine, skimmianine and scopoletin as inhibitors of α-glucosidase enzymes based on docking molecular studies. The research method is ligand and receptor preparation using Pymol and docking. The docking process uses Autodoct vina in Pyrx and using acarbose as controls. The docking results are visualized using Ligplot and Discovery studio software. The results showed that lunacridine, skimmianine, scopoletin interacted with α-glucosidase and various binding affinity value. The lunacridine binding affinity is close to the acarbose control and can cross cell membranes based on Lipinski rules. Lunacridine has an anti-diabetic ability through inhibition of α-glucosidase enzyme with the inhibitory value close to acarbose control.