Molecular electrostatic potential as a factor of drug-receptor recognition
| Autor: | M. B. Darkhovskii, Felix S. Dukhovich |
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| Rok vydání: | 2003 |
| Předmět: |
Models
Molecular Chemical Phenomena Molecular Structure Chemistry Physical Chemistry Stereochemistry Receptors Drug Static Electricity Complex formation Molecular Conformation Drug molecule Acceptor Pharmaceutical Preparations Structural Biology Chemical physics Computer Graphics Thermodynamics Molecule Drug receptor Receptor Molecular Biology |
| Zdroj: | Journal of Molecular Recognition. 16:191-202 |
| ISSN: | 1099-1352 0952-3499 |
| DOI: | 10.1002/jmr.616 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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