Catecholamine interaction with anionic sites—A model study

✍ Scribed by T. ŠOlmajer; D. Kocjan; D. Hadži

• Book ID: 104580430
• Publisher: John Wiley and Sons
• Year: 1981
• Tongue: English
• Weight: 290 KB
• Volume: 20
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560200607

✦ Synopsis

Abstract

Interactions of catecholamines with acidic sites in the biophase are likely to be involved in the control of the receptors activity as well as in storage and transport mechanisms. In view of the importance of the phenomena a model study of ethanolamine–phosphate complexes was made. The electrostatic interaction energy surface was calculated in the charge density multipole expansion approximation with terms up to quadrupole. The consecutive minimal energy conformation shows the importance for the interaction with the biophase of the catechol ring steric and electronic relation to the side chain.