大多数中枢神经系统(CNS)活性药物以优势构象与突触前或突触后的受体部位结合以呈现其主要效应。激动剂产生或模拟内源性神经递质的作用:而拮抗剂分子与受体结合则阻滞神经传递及有关突触后的活动。本文试图阐明构象的要求,从而为各类药物在任一受体部位产生作用的结合性质,提供一致的解释。药化工作者借助模型把配基通过氢键、范德华力和疏水性与受体的结合比作锁和钥匙的关系,以探讨药物和受体相互作用的分子性质, Most CNS active drugs bind to postsynaptic or post-synaptic receptor sites in a dominant conformation to exhibit their primary effect. Agonists produce or mimic the role of endogenous neurotransmitters: Antagonist molecules block receptor blockade in neurotransmission and postsynaptic activity. This article attempts to elucidate the conformational requirements that provide a consistent explanation for the binding properties of various drugs at any receptor site. Pharmacochemical workers through the model of the ligand through hydrogen bonds, van der Waals forces and the combination of hydrophobic and receptor for the relationship between the lock and the key to explore the molecular nature of the drug and receptor interactions,