吲哚衍生物的合成、α-淀粉酶抑制活性及分子对接研究。
Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives.
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.
Atta-ur-Rahman Institute for Natural Product Discovery, Universiti Teknologi MARA (UiTM), Puncak Alam Campus, 42300 Bandar Puncak Alam, Selangor, Malaysia; Faculty of Applied Science, Universiti Teknologi MARA, 40450 Shah Alam, Selangor D. E, Malaysia.
出版信息
Bioorg Chem. 2018 Oct;80:36-42. doi: 10.1016/j.bioorg.2018.05.021. Epub 2018 May 22.
In search of potent α-amylase inhibitor we have synthesized eighteen indole analogs (1-18), characterized by NMR and HR-EIMS and screened for α-amylase inhibitory activity. All analogs exhibited a variable degree of α-amylase inhibition with IC values ranging between 2.031 ± 0.11 and 2.633 ± 0.05 μM when compared with standard acarbose having IC values 1.927 ± 0.17 μM. All compounds showed good α-amylase inhibition. Compound 14 was found to be the most potent analog among the series. Structure-activity relationship has been established for all compounds mainly based on bringing about the difference of substituents on phenyl ring. To understand the binding interaction of the most active analogs molecular docking study was performed.
我们合成了十八个吲哚类似物（1-18），以期寻找强效的α-淀粉酶抑制剂。这些类似物均通过 NMR 和高分辨电喷雾电离质谱（HR-EIMS）进行了表征，并对其α-淀粉酶抑制活性进行了筛选。与标准阿卡波糖（IC50 值为 1.927±0.17μM）相比，所有类似物均表现出不同程度的α-淀粉酶抑制活性，IC50 值范围为 2.031±0.11μM 至 2.633±0.05μM。所有化合物均表现出良好的α-淀粉酶抑制活性。在该系列中，化合物 14 被发现是最有效的类似物。基于苯环上取代基的差异，建立了所有化合物的构效关系。为了了解最活性类似物的结合相互作用，进行了分子对接研究。
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