Al'tshuler R A
Pharmacology Department, Pharmaceutical Faculty, Jerusalem University, Hadassa Medical Center, Ein Kerem, Israel.
Eksp Klin Farmakol. 2001 Mar-Apr;64(2):25-30.
A mechanism responsible for the difference in the activity of enantiomers of sympathomimetics (SMs) as inhibitors of the neuronal uptake of catecholamines was studied using the SM molecular models built in preferred conformations at the binding sites. It is shown that the substituents of SM enantiomers interacting with the binding sites of membrane transporters may occupy both energetically favorable and unfavorable (configuration-dependent) positions at the asymmetric carbon atoms. Estimating the positions of these substituents, it is possible to rationalize a relationship between the configuration of SM enantiomers and the rank order of their inhibiting potency.
利用在结合位点处于优势构象构建的拟交感神经药（SMs）分子模型，研究了作为儿茶酚胺神经元摄取抑制剂的SMs对映体活性差异的机制。结果表明，与膜转运体结合位点相互作用的SM对映体取代基，在不对称碳原子上可能占据能量有利和不利（构型依赖性）的位置。通过估计这些取代基的位置，可以合理地解释SM对映体构型与其抑制效力等级顺序之间的关系。
