4 research outputs found
Synthesis, characterization, molecular docking studies and biological activity ofcoumarin linked 2-pyridone heterocycles
In the present paper, the synthesis, characterization, antimicrobial activity and in silico molecular docking study of6-((arylidene)amino)-4-(4-chlorophenyl)-2-oxo-1-((1-(2-oxo-2H-chromen-3-yl)ethylidene)amino)-1,2-dihydropyridine-3,5-dicarbonitriles 4a-o have been reported. Compounds 4d, 4g, 4j, 4k, 4m and 4o show significant activity. Structuredetermination of the synthesized compounds has been done by the standard spectroscopic techniques. It is observed thatbiological activity is influenced by electronic environment of the molecules. Electron withdrawing group at para positionplays a major role for enhancing the biological activity for antibacterial activity and the electron donating group at paraposition for antifungal activity. Compounds 4a-o have been further evaluated for cytotoxicity on HeLa cells. From thecytotoxicity results, compounds have been found to possess low cytotoxicity with potent antimicrobial activity
Synthesis, characterization, molecular docking studies and biological activity of coumarin linked 2-pyridone heterocycles
231-237In the present paper, the synthesis, characterization, antimicrobial activity and in silico molecular docking study of 6-((arylidene)amino)-4-(4-chlorophenyl)-2-oxo-1-((1-(2-oxo-2H-chromen-3-yl)ethylidene)amino)-1,2-dihydropyridine-3,5-dicarbonitriles 4a-o have been reported. Compounds 4d, 4g, 4j, 4k, 4m and 4o show significant activity. Structure determination of the synthesized compounds has been done by the standard spectroscopic techniques. It is observed that biological activity is influenced by electronic environment of the molecules. Electron withdrawing group at para position plays a major role for enhancing the biological activity for antibacterial activity and the electron donating group at para position for antifungal activity. Compounds 4a-o have been further evaluated for cytotoxicity on HeLa cells. From the cytotoxicity results, compounds have been found to possess low cytotoxicity with potent antimicrobial activity
Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars
Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars
<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