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High‐affinity benzodiazepine receptor ligands among benzodiazepines and betacarbolines with different intrinsic activity
Author(s) -
Yliniemelä A.,
Gynther J.,
Konschin H.,
Tylli H.,
Rouvinen J.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560360721
Subject(s) - pharmacophore , chemistry , intrinsic activity , flumazenil , benzodiazepine , ligand (biochemistry) , receptor , gabaa receptor , stereochemistry , diazepam , carboxylate , biophysics , biochemistry , agonist , pharmacology , biology
Structural and electrostatic features of diazepam, flumazenil, and methyl betacarboline‐3‐carboxylate (BCCM) have been investigated using the molecular superimposition method. These high‐affinity benzodiazepine (BZ) receptor ligands are structurally unrelated and they have different intrinsic activity. These ligands are superimposed in such a way that common structural and electrostatic features essential for the high receptor binding affinity overlap. In addition to this binding pharmacophore, there are roughly three separate binding zones in the BZ receptor, one for each class of ligands. The intrinsic activity of BZ receptor ligands depends on the molecular structures and the way the ligand approaches the receptor.