Novel synthesis and docking studies of selected drug derivatives

Abstract

A superior medication alternative can be found through the structural modification of a bioactive compound of either synthetic or natural origin. Synthetically altering a drug's molecule is meant to give it the desired features, such as improving its pharmacological effects and reducing its negative effects. The design, technique development, characterization, and molecular docking of new drug molecules are the main areas of the current study. With the precedence of molecular docking, the binding site of novel derivatives was demonstrated. The computer-generated three-dimensional structure of ligands ispositioned into receptor structures through molecular docking in a variety of orientations, conformations, and sites. The active pharmaceutical intermediates (API’s) used for structural modification and docking studies are Diclofenac sodium and Metformin. The NSAID diclofenac belongs to the phenylacetic acid class and has anti-inflammatory, analgesic, and antipyretic effects. An anti-diabetic medicine called metformin is used to treat type 2 diabetes mellitus. API’s have an established commercial market value, but each one of them is having an undesirable side effect. The synthesized derivatives are characterized by UV–Visible and FTIR spectral methods, and the derivatization strategy is anticipated to lessen the adverse effect and further boost its efficacy.