%0 Journal Article
%T N-[2-(1H-Indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide
%A Boja Poojary
%A Nikil Purushotham
%J -
%D 2018
%R https://doi.org/10.3390/M1008
%X Abstract N-[1-Hydrazinyl-3-(1 H-indol-3-yl)-1-oxopropan-2-yl]-4-methylbenzenesulfonamide ( 1) on cyclization with carbon disulfide in ethanolic potassium hydroxide affords N-[2-(1 H-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-Tex
%K oxadiazole
%K molecular docking
%K enoyl reductase (InhA)
%U https://www.mdpi.com/1422-8599/2018/3/M1008