Study of Molecular Docking (Intraction and Connucation) of Drugs Metformin and Pioglitazone for Thyroid Dysfunction in Patients with Diabetes

Abstract

In this study, docking analysis and scores were obtained from the compounds against the receptor (insulin hormone). The yield of all ligands was given by energy values in kcal/mole. ligands show remarkable degrees of docking. The docking score of the target compounds was compared with the docking score of the drug (metformin and pioglitazone), which is used as an effective drug to treat diabetes, which showed higher docking scores. The interactions were the bond strength of the compounds. The strength of the compounds’ binding to the receptor was strong and close, and the results in (metformin and pioglitazone) showed that the best association with the protein and separate from it was the strongest association with compound (metformin and pioglitazone). With the protein, it was found to be strongly associated with the amino acid (LYS 75, PHE 106, LYS 40, ARG 67) and (NH1 ARG 18) bound to the functional group (Amine, hydroxide,) H-donor and pi-H of the H receptor, pi-caten. compound metformin that binds strongly to the amino acid, and then the bonding strength of compound pioglitazone is less than the previous compound, and at the same time they have a good bond with the pharmaceutical compound (metformin and pioglitazone) and how the images of these compounds are presented through the figures taken from MOE program.