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- W4286741970 abstract "Biotransformation of isoniazid produced isonicotinic acid (1), isonicotinic acid N-oxide (2), and isonicotinamide (3) which were isolated by column chromatography using silica gel and Sephadex LH 20 and elucidated using various spectroscopies. This is the first report for isolation of 2. Antituberculosis activity was evaluated against Mycobacterium tuberculosis strains: drug sensitive (DS), multiple drug resistant (MDR) and extensively drug resistant (XDR). 1-3 and isoniazid showed MICs of 63.49, 0.22, 15.98 and 0.88 µM, respectively, against the DS strain. For the MDR strain, 2 and 3 exhibited MICs of 28.06 and > 1000 µM, respectively, while 1 was inactive. Moreover, 2 had an MIC of 56.19 µM against XDR strain, while 1 and 3 were inactive. Docking simulation using enoyl ACP reductase (InhA) revealed favorable protein-ligand interactions. In silico study of pharmacokinetics and hepatotoxicity predicted 1-3 to have good oral bioavailability and 2 to have a lower hepatoxicity probability than isoniazid." @default.
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- W4286741970 date "2022-07-23" @default.
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- W4286741970 title "Isonicotinic acid <i>N</i>-oxide, from isoniazid biotransformation by <i>Aspergillus niger</i>, as an InhA inhibitor antituberculous agent against multiple and extensively resistant strains supported by <i>in silico</i> docking and ADME prediction" @default.
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- W4286741970 doi "https://doi.org/10.1080/14786419.2022.2103695" @default.
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