Abstract
Diabetes mellitus (DM) is the most widespread metabolic disorder affecting millions worldwide. Molecular docking studies are useful in identifying some useful ligands which could be used to target proteins related to β-cell protection. Flindersine isolated from the plant Toddalia asiatica (L.) Lam. (Rutaceae) has been shown by us to possess antidiabetic property. With a view to identify in silico the possible mode of docking with different target proteins like PPARγ and GLUT4 which play important roles in protecting β-cells from damage. Chemical characteristics of Flindersine were retrieved from pubchem database http://pubchem.ncbi.nlm.nih.gov . The docking analysis in the active sites of 2PRG and Homology modeled protein structure of GLUT4 were performed by the Auto dock program. The docking results showed good binding interactions of the ligand with both the targets at very low energy level. In our in silico analysis, flindersine isolated from Toddalia asiatica clearly demonstrated that it could improve diabetic condition by increasing insulin secretion from remnant or regenerated pancreatic beta cells and could promote insulin sensitization and glucose uptake activities. When compared with standard drug Rosiglitazone that is commercially available flindersine can further diminish the degree of shrinkage and necrosis of beta cells of pancreas. Thus flindersine can be considered for developing into a potent antidiabetic drug.
Highlights
Diabetes mellitus (DM) is a chronic metabolic disorder characterized by hyperglycemia that afflicts severely the world population
In our in silico analysis, flindersine isolated from Toddalia asiatica clearly demonstrated that it could improve diabetic condition by increasing insulin secretion from remnant or regenerated pancreatic beta cells and could promote insulin sensitization and glucose uptake activities
When compared with standard drug Rosiglitazone that is commercially available flindersine can further diminish the degree of shrinkage and necrosis of beta cells of pancreas
Summary
Diabetes mellitus (DM) is a chronic metabolic disorder characterized by hyperglycemia that afflicts severely the world population. In India, lots of plants are used traditionally for the management and control of diabetes mellitus as alternatives to synthetic antidiabetic drugs. The fruit is traditionally used to treat malaria and coughs; roots are used to treat indigestion and influenza and the leaves are used to treat diabetes, lung diseases and rheumatism (Muthumani et al, 2010; Rajkumar et al, 2010; Duraipandiyan et al, 2006; Karunai Raj et al, 2012). Bioinformatics tools have become very significant to pinpoint the targets for different ligands. We made an attempt in using bioinformatics tools to evaluate whether flindersine is a good ligand to some of the target proteins related to diabetes such as PPARγ and GLUT4. The above mentioned targets were subjected to in Silico docking with a view to identify whether flindersine could be a good molecule to treat diabetes
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