1,2,3-Triazole Derivative: Synthesis, Characterization, DFT, Molecular Docking Study and Antibacterial-Antileishmanial Activities

Abstract

In this study, 4((1-(4-chlorobenzyl)-1H-1,2,3-triazole-4-yemethoxy)-3-methoxybenzaldehyde (I) was synthesized and molecular structure of compound I was confirmed by FTIR and NMR (H-1 and C-13 NMR) spectroscopic methods. The geometric structure of compound I was optimized by DFT/B3LYP method using 6-311 ++G(d, p) basis set. The molecular docking study was carried out against six different proteins. The antibacterial and antileishmanial activities of compound I were tested by microdilution broth with Alamar blue method and minimum inhibitor concentrations (MIC) were determined. According to the test results, it was found to be effective against eleven types of bacteria at different concentrations (MIC: 312-5000 mu g/mL). In addition, compound I was not effective against leishmania species at the concentrations that were examined.