Computational chemistry for the study and design of used drugs and their pharmacological effects

Abstract

The design and development of new pharmaceutical compounds and the manufacture and development of new chemical compounds to suit therapeutic uses is a topic of great importance in the sense of increasing their therapeutic effect and reducing side effects by determining the type of disease and the appropriate treatment for the disease. For this, many chemical and technical techniques are used, as well as new computer chemistry applications. To study the drugs used and their biological effects, the most important of these techniques are: the structure-effect relationship (SAR) and the structure-effect relationship (QESAR). The compounds that are used as medicines are usually organic compounds, which are divided into small organic molecules such as atorvastatin and clopidogrel, and biological substances such as infliximab and insulin. Specifically, pharmaceutical chemistry focuses on small organic molecules, some aspects of natural products, biochemistry, and enzymology, and aims to discover and develop drugs in these areas.