The cytochrome P450 3A (CYP3A) enzymes have a major role in the metabolism of drugs in humans. Their wide substrate specificity and induction by a vast array of structurally diverse compounds presents the possibility of metabolic drug-drug interactions. Understanding the enzymes themselves is crucial. Over the past decade, this has occurred mostly with in vitro studies, although more recent approaches incorporate computational models to predict CYP inhibition and substrate potential. The three-dimensional displacement, or pharmacophore, of chemical features in space that are derived from inhibition data have produced pharmacophores for CYP3A4, CYP3A5 and CYP3A7, and provide new insights into ligand binding for each enzyme.

中文翻译：

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对CYP3A酶的体外研究和药效学研究。

细胞色素P450 3A（CYP3A）酶在人类药物代谢中起主要作用。它们广泛的底物特异性和由大量结构多样的化合物诱导提供了代谢药物相互作用的可能性。了解酶本身至关重要。在过去的十年中，这主要发生在体外研究中，尽管最近的方法采用了计算模型来预测CYP抑制和底物潜力。从抑制数据得出的空间化学特征的三维位移或药效基团已经产生了CYP3A4，CYP3A5和CYP3A7的药效基团，并为每种酶的配体结合提供了新的见解。