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ISSN 2063-5346
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SYNTHESIS, SPECTRAL CHARACTERIZATION, IN-VITRO AND IN-SILICO ANTI-TUBERCULAR ACTIVITY SCREENING OF NOVEL SERIES OF IMIDAZO [2,1-b] [1,3,4]-THIADIAZOLE DERIVATIVES

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Manjoor Ahamad Syed, Pradeep Kumar M.R., Teshome Bekana, Firomsa Bekele, Manya B.S, Shivraj S.H
» doi: 10.48047/ecb/2023.12.si4.1268

Abstract

With the aim of synthesizing novel anti-tubercular agents, the present study is concentrated on the designing and synthesis of novel 2-benzhydryl-6-(4-substituted phenyl) imidazo[2,1-b] [1,3,4]thiadiazole derivatives by incorporating the two different substituted moieties together by reaction of 5-benzhydryl-1,3,4-thiadiazole-2-amine with appropriate α-haloaryl ketones. Formed products (2a-f) further subjected for reaction with different secondary amines such as morpholine, pyrrolidine and piperidine with formaldehyde, acetic acid in methanol, resulting in the formation of target products (3a1-a6 and 3c1-c6). Structure of synthesized compounds were confirmed by spectral data (IR, 1H-NMR, 13C-NMR and Mass spectras). Further these compounds were subjected for anti-tubercular activity screening by MABA method using Mycobacterium tuberculosis H37Rv strain. Compounds 3a2, 3a6, 3b2, 3b4 and 3b5 were found to be more effective with MIC value of 12.5 μgm / mL. To enhance in vitro efficacy of these synthesizedcompounds, molecular docking experiments have been performed with pantothenate synthetase and cyclopropane mycolic acid synthase for Tuberculosis with docking scores-7.142 and-7.248 Kcal/mol.

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