Molecular Docking Studies of some Novel Heterocyclic Compounds containing 1H Indole2 3Dione Analogues for Anticancer Properties

Abstract

Medicinal or pharmaceutical chemistry is a discipline at the intersection of chemistry and pharmacology involved with designing, synthesizing and developing pharmaceutical drugs. Medicinal chemistry involves the identification, synthesis and development of new chemical entities suitable for therapeutic use. It also includes the study of existing drugs, their biological properties, and their quantitative structureactivity relationship (QSAR). Pharmaceutical chemistry is focused on quality aspects of medicines and aims to assure fitness for the purpose of medicinal products. In the present study, in-silico molecular modifications of proposed derivatives were done by using different software s. 3D- drawing, optimizing and calculating various descriptors of proposed derivatives were done by using ACD Lab Chemsketch software. The study of the synthesized compounds in this direction may give valuable results. So it is indicates that the heterocyclic rings 1,3,4-Oxadiazole, 3-mercaptoTriazole and Beta-lactam in 1H-indole-2,3-dione derivatives are essential for the antitumor activity. newline