10.6084/m9.figshare.5838546.v1
N. C. Desai
N.
C. Desai
Amit Trivedi
Amit
Trivedi
Hardik Somani
Hardik
Somani
Krunalsinh A. Jadeja
Krunalsinh A.
Jadeja
Darshita Vaja
Darshita
Vaja
Laxman Nawale
Laxman
Nawale
Vijay M. Khedkar
Vijay M.
Khedkar
Dhiman Sarkar
Dhiman
Sarkar
Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars
Taylor & Francis Group
2018
Antibacterial activity
antituberculosis activity
cytotoxicity activity
2018-01-30 21:49:38
Journal contribution
https://tandf.figshare.com/articles/journal_contribution/Synthesis_biological_evaluation_and_molecular_docking_study_of_pyridine_clubbed_1_3_4-oxadiazoles_as_potential_antituberculars/5838546
<p>A series of pyridine clubbed 1,3,4-oxadiazole derivatives were efficiently synthesized, characterized by standard spectral techniques and evaluated for their <i>in vitro</i> antitubercular activity against <i>Mycobacterium tuberculosis</i> (MTB) H<sub>37</sub>Ra and <i>Mycobacterium bovis</i> BCG in active and dormant state using an established methods. Compounds <b>5a, 5m</b>, and <b>5t</b> were identified as the most active compounds against MTB. Molecular docking was performed against MTB enoyl-ACP (CoA) reductase (FabI/ENR/InhA) enzyme to predict the binding modes and affinity. The theoretical predictions from molecular docking could establish a link between the observed biological activity and the binding affinity shedding light into specific bonded and non-bonded interactions influencing the activity. The active compounds were studied for cytotoxicity against three cell lines and were found to be non-cytotoxic. Specificity of these compounds was checked by screening them for their antibacterial activity against four bacterial strains.</p>