Lewis David F V, Lake Brian G, Ito Yuko, Dickins Maurice
School of Biomedical and Molecular Sciences University of Surrey, Guildford, Surrey, GU2 XH, UK.
J Enzyme Inhib Med Chem. 2006 Aug;21(4):385-9. doi: 10.1080/14756360600703313.
Quantitative structure-activity relationships (QSARs) within a series of cytochrome P450 2C9 (CYP2C9) and cytochrome P450 2C19 (CYP2C19) inhibitors are reported. In particular, it is noted that compound lipophilicity, in the form of log P values (where P is the octanol/water partition coefficient), is an important factor in explaining the variation in inhibitory potency within these series of compounds, many of which also act as substrates for the respective enzymes. In addition, there is a role for hydrogen bonding and pi-pi stacking interactions within the P450 active site which represent secondary factors in the binding processes of these compounds.
报道了一系列细胞色素P450 2C9（CYP2C9）和细胞色素P450 2C19（CYP2C19）抑制剂的定量构效关系（QSAR）。特别需要指出的是，以log P值（其中P为正辛醇/水分配系数）形式表示的化合物亲脂性，是解释这些系列化合物抑制效力变化的一个重要因素，其中许多化合物也是相应酶的底物。此外，P450活性位点内的氢键和π-π堆积相互作用也发挥了作用，它们是这些化合物结合过程中的次要因素。
