新型含噻唑/噁唑的三嗪并吲哚衍生物的合成、α-淀粉酶抑制活性及分子对接研究。
New triazinoindole bearing thiazole/oxazole analogues: Synthesis, α-amylase inhibitory potential and molecular docking study.
机构信息
Department of Chemistry, Hazara University, Mansehra 21300, Khyber Pakhtunkhwa, Pakistan.
Department of Chemistry, Hazara University, Mansehra 21300, Khyber Pakhtunkhwa, Pakistan.
出版信息
Bioorg Chem. 2019 Nov;92:103284. doi: 10.1016/j.bioorg.2019.103284. Epub 2019 Sep 17.
New triazinoindole bearing thiazole/oxazole analogues (1-21) were synthesized and characterized through spectroscopic techniques such as HREI-MS, H and C NMR. The configuration of compound 2i and 2k was confirmed through NOESY. All analogues were evaluated against α-amylase inhibitory potential. Among the synthesized analogues, compound 1h, 1i, 1j, 2a and 2f having IC values 1.80 ± 0.20, 1.90 ± 0.30, 1.2 ± 0.30, 1.2 ± 0.01 and 1.30 ± 0.20 μM respectively, showed excellent α-amylase inhibitory potential when compared with acarbose as standard (IC = 0.91 ± 0.20 µM). All other analogues showed good to moderate inhibitory potential. Structural activity relationship (SAR) has been established and binding interactions were confirmed through docking studies.
新的三嗪并吲哚取代噻唑/噁唑类似物（1-21）通过高分辨质谱（HREI-MS）、氢谱（H NMR）和碳谱（C NMR）等光谱技术进行了合成和表征。通过 NOESY 确定了化合物 2i 和 2k 的构型。所有类似物都进行了α-淀粉酶抑制潜力的评估。在所合成的类似物中，化合物 1h、1i、1j、2a 和 2f 的 IC 值分别为 1.80 ± 0.20、1.90 ± 0.30、1.2 ± 0.30、1.2 ± 0.01 和 1.30 ± 0.20 μM，与标准阿卡波糖（IC = 0.91 ± 0.20 μM）相比，表现出优异的α-淀粉酶抑制潜力。所有其他类似物均显示出良好至中等的抑制潜力。通过对接研究建立了构效关系（SAR），并证实了结合相互作用。
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