Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box1982, Dammam 31441, Saudi Arabia.
Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box1982, Dammam 31441, Saudi Arabia.
Bioorg Chem. 2019 Oct;91:103126. doi: 10.1016/j.bioorg.2019.103126. Epub 2019 Jul 12.
Twenty-five thiadiazole derivatives 1-25 were synthesized from methyl 4-methoxybenzoate via hydrazide and thio-hydrazide intermediates, and evaluated for their potential against β-glucuronidase enzyme. Most of the compounds including 1 (IC = 26.05 ± 0.60 μM), 2 (IC = 42.53 ± 0.80 μM), 4 (IC = 38.74 ± 0.70 μM), 5 (IC = 9.30 ± 0.29 μM), 6 (IC = 6.74 ± 0.26 μM), 7 (IC = 18.40 ± 0.66 μM), and 15 (IC = 18.10 ± 0.53 μM) exhibited superior activity potential than the standard d-saccharic acid-1,4-lactone (IC = 48.4 ± 1.25 μM). Molecular docking studies were conducted to correlate the in vitro results and to identify possible mode of interaction with enzyme active site.
从甲基 4-甲氧基苯甲酸出发，经酰肼和硫代酰肼中间体合成了 25 种噻二唑衍生物 1-25，并评估了它们对β-葡萄糖醛酸酶的潜在抑制作用。大多数化合物，包括 1（IC = 26.05 ± 0.60 μM）、2（IC = 42.53 ± 0.80 μM）、4（IC = 38.74 ± 0.70 μM）、5（IC = 9.30 ± 0.29 μM）、6（IC = 6.74 ± 0.26 μM）、7（IC = 18.40 ± 0.66 μM）和 15（IC = 18.10 ± 0.53 μM），表现出比标准 d-酒石酸-1,4-内酯（IC = 48.4 ± 1.25 μM）更好的活性潜力。进行了分子对接研究，以关联体外结果，并确定与酶活性位点相互作用的可能模式。
