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Molbank 2018, 2018(3), M1008; https://doi.org/10.3390/M1008

N-[2-(1H-Indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide

Department of Chemistry, Mangalore University, Mangalagangothri, Mangaluru 574 199, Karnataka, India
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Author to whom correspondence should be addressed.
Received: 10 July 2018 / Revised: 24 July 2018 / Accepted: 24 July 2018 / Published: 25 July 2018
(This article belongs to the Special Issue Heteroatom Rich Organic Heterocycles)
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Abstract

N-[1-Hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylbenzenesulfonamide (1) on cyclization with carbon disulfide in ethanolic potassium hydroxide affords N-[2-(1H-indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide (2) in 84% yield. The structure of compound 2 was supported by mass spectrometry, FT-IR and 1H- and 13C-NMR spectroscopy. To investigate the potential of compound 2 to act as antitubercular agent, it was docked against the enoyl reductase (InhA) enzyme of Mycobacterium tuberculosis. The docking pose and non-covalent interactions gave insights on its plausible inhibitory action. View Full-Text
Keywords: oxadiazole; molecular docking; enoyl reductase (InhA) oxadiazole; molecular docking; enoyl reductase (InhA)
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Purushotham, N.; Poojary, B. N-[2-(1H-Indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide. Molbank 2018, 2018, M1008.

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