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Crystals of cytochrome-ligand complexes and methods of use

机译:细胞色素-配体复合物的晶体及其使用方法

摘要

The teachings relates to the three-dimensional structure of a crystal of a cytochrome protein complexed with a ligand. The three-dimensional structure of four cytochrome P450 2A6-ligand complexes are disclosed. Cytochrome P450 2A6-ligand crystal structures, wherein the ligand is an inhibitor molecule, are useful for providing structural information that may be integrated into drug screening and drug design processes. Thus, the teachings also relate to methods for utilizing a crystal structure of a cytochrome P450 2A6-ligand complex for identifying, designing, selecting, or testing inhibitors of the cytochrome protein. Such inhibitors are useful as therapeutics for the treatment or modulation of i) diseases; ii) disease symptoms; or iii) the effect of other physiological events mediated by the cytochrome.
机译:这些教导涉及与配体复合的细胞色素蛋白晶体的三维结构。公开了四种细胞色素P450 2A6-配体复合物的三维结构。其中配体为抑制剂分子的细胞色素P450 2A6-配体晶体结构可用于提供可整合到药物筛选和药物设计过程中的结构信息。因此,这些教导还涉及利用细胞色素P450 2A6-配体复合物的晶体结构来鉴定,设计,选择或测试细胞色素蛋白抑制剂的方法。这样的抑制剂可用作治疗或调节i)疾病的治疗剂。 ii)疾病症状;或iii)细胞色素介导的其他生理事件的影响。

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