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Synthesis of new series of quinoxaline based MAO-inhibitors and docking studies.

机译:新系列基于喹喔啉的MAO抑制剂的合成和对接研究。

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摘要

A series of 2-benzyl-3-(2-arylidenehydrazinyl)quinoxalines 3, 4-benzyl-1-aryl-[1,2,4]triazolo[4,3-a]quinoxalines 4 and phenyl(1-aryl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)methanones 5 analogues were synthesized and investigated for their monoamine oxidase (MAO) inhibitory property. The inhibition profile was found to be competitive for compounds 3k, 3m, 5f and 5n with MAO-A selectivity. Observation of the docked positions of these compounds revealed interactions with many residues previously reported to have an effect on the inhibition of the enzyme. The structural features of the new compounds have been determined from the microanalytical, IR, (1)H, (13)C NMR spectral studies and X-ray crystalography.
机译:一系列2-苄基-3-(2-亚芳基肼基)喹喔啉3、4-苄基-1-芳基-[1,2,4]三唑并[4,3-a]喹喔啉4和苯基(1-芳基-[合成了1,2,4]三唑并[4,3-a]喹喔啉-4-基)甲酮5个类似物,并研究了它们的单胺氧化酶(MAO)抑制特性。发现抑制曲线对于具有MAO-A选择性的化合物3k,3m,5f和5n具有竞争性。对这些化合物的对接位置的观察揭示了与许多先前报道对酶的抑制有影响的残基的相互作用。新化合物的结构特征已通过微观分析,IR,(1)H,(13)C NMR光谱研究和X射线晶体学确定。

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