학술논문
A new nicotinic acetylcholine minireceptor model: a theoretical thermodynamic analysis of simultaneous cation-πand hydrogen bond interactions
Document Type
Article
Source
Journal of Molecular Structure: THEOCHEM; November 2000, Vol. 532 Issue: 1-3 p11-22, 12p
Subject
Language
ISSN
01661280
Abstract
In this work, we developed a nicotinic acetylcholine receptor (nAChR) model using the minireceptor modeling technique. For the construction of the minireceptor model, we elected some known nicotinic agonists according to their structural characteristics and binding constants (Ki) values. The results show an orientation pattern for the probes’ distances and angles in the model. These data suggest that the strategy used to build the minireceptor is able to reproduce geometrically the cation–π and hydrogen bond interactions between ligands and the nAChR.