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On the mechanism of histamine H2 receptor activation

Posted June 8th, 2010 by pschmidtke
TitleOn the mechanism of histamine H2 receptor activation
Publication TypeJournal Article
Year of Publication1987
AuthorsLuque, FJ, Illas F, Pouplana R
JournalMolecular pharmacology
Volume32
Issue4
Pagination557 - 563
Date Published1987/10//
KeywordsChemical; Physicochemical Phenomena; Protons; Receptors, Chemistry, Histamine H2/physiology; Structure-Activity Relationship, Physical; Computer Simulation; Models
AbstractThe H2 receptor activation mechanism model proposed by Weinstein et al. [Mol. Pharmacol. 12:738-745 (1976)] has been considered for the set of H2 agonists. The energetics of the model proton transfer processes from a proton-donor site to the heterocycle ring of the agonist molecule and from this one to a proton acceptor site have been studied by using the semiempirical AM1 and MNDO quantum mechanical methods. The STO-3G ab initio molecular electrostatic potential for each compound in its active form has also been computed. Results show the mechanistic model to be satisfactory and lead to a qualitative and quantitative explanation of the H2 activity data.