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STUDIED ON DOCKING OF 5,6-DIARYL-2,3-DIHYDRO-1-PYRROLIZINONE DERIVATIVES WITH CYCLOOXYGENASE

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Author:
No author available
Journal Title:
ACTA PHARMACEUTICA SINICA
Issue:
6
DOI:
10.3321/j.issn:0513-4870.2001.06.004
Key Word:
2,3-二氢-1-吡咯里嗪酮;分子对接;环氧化酶-1;环氧化酶-2

Abstract: 目的探讨5,6-二芳基-2,3-二氢-1-吡咯里嗪酮类化合物的作用机制.方法以化合物ZZ-122为例,应用分子对接方法模拟化合物与环氧化酶-1(COX-1)和环氧化酶-2(COX-2)的作用.结果从ZZ-122与COX-1和COX-2的结合模式,形成复合物的分子间相互作用能及相应原子间形成氢键的能力表明,ZZ-122易于与COX-2结合,而不易与COX-1结合.结论 ZZ-122可能是一个COX-2选择性抑制剂,但尚需酶结合实验进一步验证.

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