Synthesis, Antitubercular Evaluation, Molecular Docking Study, and Teratogenicity Studies of Novel Triazolo Quinazoline Hybrids

Abstract

Abstract A novel series of triazole-quinazoline hybrid molecules was synthesized and characterized by spectral analyses. The H37 RV strain was used to test the newly synthesised compounds for antitubercular efficacy against Mycobacterium tuberculosis. Some of the synthesized compounds were effective compared with standard pyrazinamide at a concentration of 3.12 μg/mL. Additionally, molecular docking investigations were conducted on all synthesized compounds against the M. tuberculosis InhA protein, which is attenuated by the PT70 X-ray crystal structure, PDB ID: 2X22. Two compounds were revealed the best against 2X22, with Autodock scores of –9.13 and –8.59, respectively. To further investigate the teratogenicity of the synthesized compounds, zebrafish larvae were employed. At a concentration of 100 μM, some compounds showed no signs of abnormality.