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Molecular electrostatic potential as a factor of drug–receptor recognition
Author(s) -
Dukhovich Felix S.,
Darkhovskii Michael B.
Publication year - 2003
Publication title -
journal of molecular recognition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.401
H-Index - 79
eISSN - 1099-1352
pISSN - 0952-3499
DOI - 10.1002/jmr.616
Subject(s) - acceptor , molecule , drug , molecular recognition , chemistry , drug target , compensation (psychology) , receptor , electrostatic interaction , chemical physics , stereochemistry , physics , biochemistry , biology , pharmacology , quantum mechanics , organic chemistry , psychology , psychoanalysis
When a drug molecule approaches a non‐specific acceptor both molecules are in electrostatic fields of equal sign which prevents drug–acceptor complex formation. At the same time, the drug–acceptor system does not achieve the thermodynamic global minimum. Otherwise, when a certain drug interacts with its specific receptor, mutual compensation of their molecular electrostatic potentials takes place. Then separate atoms and groups of the drug molecule can bind to the receptor. We show that the fundamental role of molecular electrostatic potential in the process of drug–receptor recognition consists in fast correction of errors. Copyright © 2003 John Wiley & Sons, Ltd.