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Titolo:
Theoretical study of mexiletine and its interaction with cationic and anionic receptor sites
Autore:
Remko, M; Smiesko, M; Benova, A;
Indirizzi:
Comenius Univ, Fac Pharm, Dept Pharmaceut Chem, SK-83232 Bratislava, Slovakia Comenius Univ Bratislava Slovakia SK-83232 SK-83232 Bratislava, Slovakia
Titolo Testata:
FARMACO
fascicolo: 10, volume: 54, anno: 1999,
pagine: 653 - 659
SICI:
0014-827X(19991030)54:10<653:TSOMAI>2.0.ZU;2-B
Fonte:
ISI
Lingua:
ENG
Soggetto:
ANTIARRHYTHMIC DRUGS; LOCAL-ANESTHETICS; LIDOCAINE; TOCAINIDE; COMPLEXES; MEMBRANES; CHANNELS; MODELS;
Keywords:
mexiletine; antiarrhythmic-receptor interaction; theoretical calculations;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Citazioni:
32
Recensione:
Indirizzi per estratti:
Indirizzo: Remko, M Comenius Univ, Fac Pharm, Dept Pharmaceut Chem, Odbojarov 10, SK-83232 Bratislava, Slovakia Comenius Univ Odbojarov 10 Bratislava Slovakia SK-83232 Slovakia
Citazione:
M. Remko et al., "Theoretical study of mexiletine and its interaction with cationic and anionic receptor sites", FARMACO, 54(10), 1999, pp. 653-659

Abstract

Theoretical methods are applied to study the antiarrhythmic (AA) mexiletine (1 -(2,6-dimethylphenoxy)-2-aminopropane). The AMI method is used to construct a three-centre binding model for this drug. This model consists of anamine nitrogen atom that is protonated to a higher degree at physiologicalpH, flat hydrophobic regions of aromatic rings and additional functional groups with lone electron pairs of oxygen. Based on these ideas, a model forthe binding of mexiletine at the transmembrane protein was constructed. Anab initio SCF method was used to study the two-component mexiletine-receptor binding site composed of acetate (Glu(-), Asp(-)) and protonated methylamine (Lys(+), Arg(+)). The binding of mexiletine to the receptor may be understood by considering a two-step process of recognition and binding of AA to its receptor. Within this model the mexiletine cation is recognised in the first step and bonded to the negatively-charged part of the receptor. Ina subsequent step, the interaction between the amide oxygen and cationic amine group of the membrane protein may follow. (C) 1999 Elsevier Science S.A. All rights reserved.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 01/04/20 alle ore 20:51:18