| Literature DB >> 29697293 |
Katharigatta N Venugopala1,2, Mohammed A Khedr1,3, Melendhran Pillay4, Susanta K Nayak5, Sandeep Chandrashekharappa6, Bandar E Aldhubiab1, Sree Harsha1, Mahesh Attimard1, Bharti Odhav2.
Abstract
Biotin is very important for the survival of Mycobacterium tuberculosis. 7,8-Diamino pelargonic acid aminotransaminase (DAPA) is a transaminase enzyme involved in the biosynthesis of biotin. The benzothiazole title compounds were investigated for their in vitro anti-tubercular activity against two tubercular strains: H37Rv (ATCC 25,177) and MDR-MTB (multidrug-resistant M. tuberculosis, resistant to isoniazid, rifampicin, and ethambutol) by an agar incorporation method. The possible binding mode and predicted affinity were computed using a molecular docking study. Among the synthesized compounds in the series, the title compound {2-(benzo[d]thiazol-2-yl-methoxy)-5-fluorophenyl}-(4-chlorophenyl)-methanone was found to exhibit significant activity with minimum inhibitory concentrations of 1 μg/mL and 2 μg/mL against H37Rv and MDR-MTB, respectively; this compound showed the highest binding affinity (-24.75 kcal/mol) as well.Entities:
Keywords: ; Benzothiazole; DAPA: 7,8-diamino pelargonic acid aminotransferase; H37Rv; MDR-MTB; MDR-MTB: multidrug-resistant strains of ; MIC: minimum inhibitory concentration; PLP: Pyridoxal phosphate; SAM: S-adenosylmethionine; XDR-MTB: extensively drug-resistant ; minimum inhibitory concentration; single crystal X-ray studies
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Year: 2018 PMID： 29697293 DOI： 10.1080/07391102.2018.1470035
Source DB: PubMed Journal: J Biomol Struct Dyn ISSN： 0739-1102