Monoamine oxidase isoform-dependent tautomeric influence in the recognition of 3,5-diaryl pyrazole inhibitors

被引：68
作者：
Chimenti, Franco
Fioravanti, Rossella
Bolasco, Adriana
Manna, Fedele
Chimenti, Paola
Secci, Daniela
Befani, Olivia
Turini, Paola
Ortuso, Francesco
Alcaro, Stefano
机构：
[1] Univ Roma La Sapienza, Dipartimento Chim & Tecnol Sostanze Biol Att, I-00185 Rome, Italy
[2] Univ Roma La Sapienza, Dipartimento Sci Biochim A Rossi Fanelli, I-00185 Rome, Italy
[3] Univ Roma La Sapienza, CNR, Ctr Biol Mol, I-00185 Rome, Italy
[4] Univ Catanzaro, Dipartimento Sci Farmacobiol, I-88021 Catanzaro, Italy
来源：
JOURNAL OF MEDICINAL CHEMISTRY | 2007年 / 50卷 / 03期
关键词：
D O I：
10.1021/jm060868l
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
A series of 3,5-diaryl pyrazoles were prepared and assayed for their ability to inhibit reversibly monoamine oxidase-A (MAO-A) and monoamine oxidase B (MAO-B). Several compounds show inhibitory activity with concentration values in the nanomolar range. A computational work was carried out on the two most selective inhibitors that have tautomeric pyrazole forms. The binding free energies of these compounds for each MAO isoform were influenced by the tautomeric equilibria.
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页码：425 / 428
页数：4
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