Borea P A, Bertolasi V, Gilli G
Arzneimittelforschung. 1986 Jun;36(6):895-9.
The geometries of 14 histamine H1-receptor antagonists have been compared with the aim of finding out a common stereochemical vector of antihistaminic activity. The results obtained from X-ray crystallographic data have been compared with those obtained by minimizing the conformational energy of the molecules according to a simplified model of force field. Both approaches agree in indicating unique stereochemical requirements for optimum H1-antihistaminic activity.
为了找出抗组胺活性的共同立体化学载体,对14种组胺H1受体拮抗剂的几何结构进行了比较。将X射线晶体学数据得到的结果与根据简化力场模型使分子构象能量最小化得到的结果进行了比较。两种方法都一致表明,最佳H1抗组胺活性存在独特的立体化学要求。