Molecular electrostatic potential as a factor of drug-receptor recognition.
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.
Dukhovich
Felix S
FS
State Research Institute of Organic Chemistry and Technology, Shosse Entuziastov 23, 111024 Moscow, Russia.
Darkhovskii
Michael B
MB
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003196:Computer Graphics; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry* / Q000378:metabolism; D011955:Receptors, Drug / Q000737:chemistry* / Q000378:metabolism; D055672:Static Electricity; D013816:Thermodynamics
D004364:Pharmaceutical Preparations; D011955:Receptors, Drug