Prediction of Anti-mycobacterial Activity of 2-(4-(4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid Analogs: A QSAR Approach

Tuberculosis is one of the most prevalent infectious disease affecting approximately 8 million people every year. The emergence of multidrug resistant tuberculosis together with the spread of severe opportunistic disseminated infections is the tremendous problem. With this view in the present study, an attempt has been made to explore physicochemical requirements of 2-(4-(4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid analogs for binding with Mycobacterium tuberculosis H37Rv and isoniazid resistant strains. The quality of QSAR models obtained from regression within acceptable statistical range (explained variance ranging from 81.9 to 87.4%). The study shows that molecular geometry, atomic masses, hydrogen acceptor donor interactions are driving forces for describing the activity of 2-(4-(4,5-dihydro-1Hpyrazol- 3-yl)phenoxy)acetic acid as anti-mycobacterial agents.