Gómez-Jeria J S, Morales-Lagos D R
J Pharm Sci. 1984 Dec;73(12):1725-8. doi: 10.1002/jps.2600731216.
We have analyzed the dependence of the serotonin receptor binding affinity on the atomic net charges, superdelocalizabilities, mass, and moment of inertia in a group of indole derivatives. The approaches employed are a new nonempirical quantitative structure-activity relationship (QSAR) method and multiple regression analyses. The results suggest that the indole derivatives interact with the receptor through a charge transfer between the phenyl ring and a counterpart in the receptor, plus some localized electrostatic interactions. Also, the fit of the equation obtained suggests that the indole derivatives have the aromatic ring placed in the same relative position during the interaction with the receptor.
我们分析了一组吲哚衍生物中血清素受体结合亲和力与原子净电荷、超离域性、质量和转动惯量之间的依赖性。所采用的方法是一种新的非经验性定量构效关系（QSAR）方法和多元回归分析。结果表明，吲哚衍生物通过苯环与受体中对应部分之间的电荷转移以及一些局部静电相互作用与受体相互作用。此外，所得方程的拟合表明，吲哚衍生物在与受体相互作用期间芳环处于相同的相对位置。
