新型三嗪并吲哚基硫脲杂合体的合成：α-葡萄糖苷酶抑制剂及其分子对接研究。
Synthesis of Novel Triazinoindole-Based Thiourea Hybrid: A Study on α-Glucosidase Inhibitors and Their Molecular Docking.
机构信息
Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia.
Neurology Department, King Fahad hospital of University, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 34211, Saudi Arabia.
出版信息
Molecules. 2019 Oct 23;24(21):3819. doi: 10.3390/molecules24213819.
A new class of triazinoindole-bearing thiosemicarbazides (-) was synthesized and evaluated for α-glucosidase inhibitory potential. All synthesized analogs exhibited excellent inhibitory potential, with IC values ranging from 1.30 ± 0.01 to 35.80 ± 0.80 µM when compared to standard acarbose (an IC value of 38.60 ± 0.20 µM). Among the series, analogs and were found to be the most potent, with IC values of 1.30 ± 0.05 and 1.30 ± 0.01 µM, respectively. The structure-activity relationship (SAR) was mainly based upon bringing about different substituents on the phenyl rings. To confirm the binding interactions, a molecular docking study was performed.
一类新型的含三嗪并吲哚的噻唑烷酮缩硫脲（-）被合成并评估了其对α-葡萄糖苷酶抑制潜力。与标准阿卡波糖（IC 值为 38.60 ± 0.20 µM）相比，所有合成的类似物均表现出优异的抑制潜力，IC 值范围为 1.30 ± 0.01 至 35.80 ± 0.80 µM。在该系列中，类似物 和 被发现是最有效的，IC 值分别为 1.30 ± 0.05 和 1.30 ± 0.01 µM。构效关系（SAR）主要基于在苯环上引入不同的取代基。为了确认结合相互作用，进行了分子对接研究。
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