A novel series of pyrrolyl thiadiazoles was synthesized and tested for antimycobacterial activity against the Mycobacterium tuberculosis H 37 Rv strain, using the microplate Alamar blue assay method. Molecular docking and in vitro minimum inhibitory concentration assays revealed that these molecules can be primarily screened for ENR inhibition, using the score values and H-bond interactions with amino acid residues Tyr158, Met98, and cofactor NAD + , which are the key interactions. For most of the molecules, hydrophobic interaction is the key factor affecting their antitubercular activity. The activity of -OCH 3 , -NO 2 , -F, pyridine, and sulfonamide substituted derivatives was better than that of -CH 3 , -NH 2 , -Cl, and -Br substituted derivatives, as per experimental and docking studies. Molecular modeling studies are in agreement with their biological evaluations.
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Preparationand Antimicrobial Activity of 3-(p-(2',5'-Dibromobenzenesulfonamido)phenyl)-5-aryl-1H/acetyl/phenyl-2pyrazolines. -The title compounds, e.g. (VI), (VIII), and (X), have been screened for antimicrobial activity. Most of the tested compounds, e.g. (VIIIb) and (Xa), show moderate activity. -(SORATHIYA, S. D.; PATEL, V. B.; PARIKH, A. R.; Indian J.
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