Virtual designing of 1, 2, 3-triazole derivatives and their application on Aspergillus niger

Chemoinformatics has become a major part of the drug discovery pipeline, playing a key role for validating drug targets. In this work chemoinformatics has been applied to obtain the effective antifungal agent amongst derivatives of 1-[2(1H-tetrazole-5-yl)ethyl]-1H-benzo[d][1, 2, 3] triazoles and 1-alkyl-4-aryl-[1, 2, 3]-triazole against Aspergillus niger. In silico work has been performed with the help of National center for biotechnology information (NCBI) Database. Cactus server for protein format conversion (Database), Swiss model (Server), MVD (Software) and Ramachandran plot was used for structure validation of protein.