Abstract

SYNTHESIS, CHARACTERIZATION, MOLECULAR DOCKING AND ADME PREDICTION OF N’-(7-CHLOROQUINOLIN-4-YL)-6-METHYL-2-OXO-4-PHENYL-1,2,3,4-TETRAHYDRO- PYRIMIDINE-5-CARBOHYDRAZIDE DERIVATIVES AS POTENT ANTI-MYCOBACTERIAL AGENT

Mahesh S. Vasava, Manoj N. Bhoi, Mayuri A. Borad, Chirag N. Patel, Rikin D. Patel and Hitesh D. Patel*

ABSTRACT

In the present study, the structures of the previously reported N'-(7-chloroquinolin-4-yl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide derivatives which were synthesized via three step reactions by conventional method have been confirmed by FT-IR, 1H NMR, mass and by elemental analysis. The anti-mycobacterial activity of the synthesized compounds was also examined against H37RV strain. The results of anti-mycobacterial activity were also collected through molecular docking program using computational analysis. Due to the outcome obtained from the results of the various studies it revealed through our study that the newly synthesized compounds possess moderate to good biological activities. Further, to predict the safer efficacy of the synthesized compounds theoretical evaluation of ADME properties was also carried out.

Keywords: ADME prediction, anti-mycobacterial agent, biginelli reaction, dihydropyrimidines, docking, quinolines, H37RV strain.