胆碱能药物的分子力学与分子药理学

Molecular Mechanics and Molecular Pharmacology of Cholinergic and Cholinolytic Drugs

摘要: 用分子力学方法,结合药理结果,考察了胆碱能化合物的空间构象和构效关系,从而提出了药物与胆碱能受体相互作用的分子药理学模型,为阐明这类药物的立体化学和药理现象以及选择性药物分子设计提供了基础。

Abstract: Molecular mechanics, molecular graphics and combined molecular mechanics-quantum chemistry calculation were used to study the configuration and conformation of many important cholinergic and cholinolytic drugs. And then their conformation-activity relatio