ONE STEP BEFORE THE WORKBENCH: THE USE OF CHEMINFORMATICS TOOLS IN DRUG DISCOVERY

Abstract

The use of the in silico approach for the research of new drugs has grown in the international scientific scope in recent years. Since the advent of genomics, proteomics and metabolomics, the search for targeted-specific drugs and less chance of causing adverse effects is considered a determining factor in the planning of bioactive compounds. In this sense, new drugs will be produced from rational planning and using computational tools, contributing to the understanding mechanism of action, reduced toxicological risk and increased efficacy.

DOI: http://dx.doi.org/10.16891/2317-434X.v9.e2.a2021.pp995-996