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基于吡唑啉的选择性和可逆单胺氧化酶-A 抑制剂的开发:合成、生物评价和对接研究。

Development of selective and reversible pyrazoline based MAO-A inhibitors: Synthesis, biological evaluation and docking studies.

机构信息

Department of Pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi 835215, India.

出版信息

Bioorg Med Chem. 2010 Mar 1;18(5):1875-81. doi: 10.1016/j.bmc.2010.01.043. Epub 2010 Jan 25.

Abstract

3,5-Diaryl pyrazolines analogs were synthesized and evaluated for their monoamine oxidase (MAO) inhibitory activity. The compounds were found reversible and selective towards MAO-A with selectivity index in the magnitude of 10(3)-10(5). The docking studies were carried out to gain further structural insights of the binding mode and possible interactions with the active site of MAO-A. Interestingly, the theoretical (K(i)) values obtained by molecular docking studies were in congruence with their experimental (K(i)) values.

摘要

3,5-二芳基吡唑啉类似物被合成并评估其单胺氧化酶(MAO)抑制活性。这些化合物被发现对 MAO-A 具有可逆和选择性,选择性指数在 10(3)-10(5)的数量级。进行了对接研究,以进一步深入了解结合模式和与 MAO-A 活性位点的可能相互作用。有趣的是,分子对接研究获得的理论(K(i))值与实验(K(i))值一致。

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