a Department of Pharmaceutical Sciences, College of Clinical Pharmacy , King Faisal University , Al-Ahsa , 31982 , Kingdom of Saudi Arabia.
b Department of Biotechnology and Food Technology , Durban University of Technology , Durban , 4001 , South Africa.
J Biomol Struct Dyn. 2019 Apr;37(7):1830-1842. doi: 10.1080/07391102.2018.1470035. Epub 2018 May 16.
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.
生物素对结核分枝杆菌的生存至关重要。7,8-二氨基壬酸氨基转移酶（DAPA）是一种参与生物素生物合成的氨基转移酶。苯并噻唑标题化合物通过琼脂掺入法进行了体外抗结核活性测试，针对两种结核菌株：H37Rv（ATCC 25,177）和 MDR-MTB（耐异烟肼、利福平、乙胺丁醇的多重耐药结核分枝杆菌）。使用分子对接研究计算了可能的结合模式和预测亲和力。在所合成的一系列化合物中，标题化合物{2-（苯并[d]噻唑-2-基-甲氧基）-5-氟苯基}-（4-氯苯基）-甲酮对 H37Rv 和 MDR-MTB 的最小抑菌浓度分别为 1μg/mL 和 2μg/mL，表现出显著的活性；该化合物的结合亲和力最高（-24.75kcal/mol）。
