Year: 2018 | Month: December | Volume 6 | Issue 2
In Silico Molecular Modelling and Docking Studies of Sophora flavescens Derived Flavonoids against SGLT2 for Type 2 Diabetes Mellitus
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Abstract:
Sophora flavescens (S. flavescens), which is used in traditional Chinese medicine, It showed potent Na+-glucose co-transporter (SGLT) interruption activity. SGLT interruption have therapeutic potential inhibitor for diabetes mellitus. S. flavescens have diverse substantial activities for anti-oxidant, anti-diabetic, anti-bacterial, anti-asthmatic, anti-pyretic, anti-ulcerative, anti-arrhythmic, anti-inflammatory, and anti-neoplastic effects. Sophora species are widely used in the therapy of many diseases such as cancer, asthma, ulcer, diabetes and it’s also used for oilments. Sophora is rich in alkaloids, flavonoids, triglycosides, isoprenylated flavonoids, isoflavonones, saponins, triterpenoid glycosides, phospholipids and polysaccharides. S.flavescens is derived compounds such as Maackiain, Variabilin, Pterocarpin, Sophoraflavone G and Formononetin etc. NIDDM is a chronic disease associated with the metabolic impairment of insulin actions, dominant to the evolution of serious complications. SGLT-2 inhibitors provide a unique way to treat the diabetes mellitus by decreasing hyperglycemia through increased glucosuria. This explosion decreases renal glucose tubular constriction in the proximal renal tubules imparting an insulin independent mechanism to curtail blood glucose. Homology modeling was performed using Schrodinger Glide 11.9 Advanced Homology Modelling to anticipate the 3D Complex of SGLT-2. In this present study, we established a novel SGLT2 inhibitor by means of docking. Docking was carried out using GLIDE software. The ligand Formononetin with the Glide score -5.074, shows the binding affinity with the amino acid (AA) residues TYR263, GLN428, GLN69, TYR87 and GLU88. These residues are acting as a conclusive pocket for the potential ligand. Hence, it has been concluded Formononetin as a potent inhibitor for SGLT2 Protein in Type 2 Diabetes.
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