In Silico Modeling of Ligand Molecule for Target Protein in Diabetes Mellitus Type II Insight Mechanism

摘要

Type II Diabetes Mellitus or Non-Insulin dependent Diabetes mellitus (NIDDM) is one of the common diseases worldwide and often recognized as life style disease. The major symptom of this disease is an increase in blood glucose level resulting in polydypsia, polyuria and polyphagia. The cause of this abnormality is either lack of insulin production or insensitivity to the insulin produced inside the body. Glucagon like peptide (GLP) produced by the glucagons gene is responsible for insulin secretion. Thus proper functioning of GLP can be a remedy for Type II Diabetes mellitus. DiPeptidyl Peptidase IV (DPPIV) checks the GLP, thus in order to restore the normal functioning of these, the activity of DPP IV has to be checked using DPP IV inhibitors. In this paper the target sequence was retrieved, modeled using modeller 8vl followed by validation by PROCHECK. Ligand molecule was constructed by LIGBUILDER. Docking was carried out with methylamine as a lead molecule and DPPIV as receptor to design a drug molecule. Designing of a drug molecule was followed by screening for its activity and drug likeness. The present studies provide new insights for efficient inhibition of DPP IV to restore the normal activity of the body overcoming the negative effects left by other drugs.