Synthesis, Biological Evaluation, and Molecular Simulation of Chalcones and Aurones as Selective MAO-B Inhibitors

被引：50

作者：

Morales-Camilo, Nicole ^{[1
]}

Salas, Cristian O. ^{[1
]}

Sanhueza, Claudia ^{[2
]}

Espinosa-Bustos, Christian ^{[1
]}

Sepulveda-Boza, Silvia ^{[2
]}

Reyes-Parada, Miguel ^{[2
,3
]}

Gonzalez-Nilo, Fernando ^{[4
]}

Caroli-Rezende, Marcos ^{[5
]}

Fierro, Angelica ^{[1
]}

机构：

[1] Pontificia Univ Catolica Chile, Fac Quim, Dept Quim Organ, Santiago 702843, Chile

[2] Univ Santiago, Fac Ciencias Med, Escuela Med, Santiago, Chile

[3] Univ Autonoma Chile, Fac Ciencias Salud, Santiago 8910124, Chile

[4] Univ Andres Bello, Fac Ciencias Biol, Ctr Bioinformat & Biol Integrat, Santiago 8370146, Chile

[5] Univ Santiago Chile, Fac Quim & Biol, Dept Quim Mat, Santiago 9170022, Chile

来源：

CHEMICAL BIOLOGY & DRUG DESIGN | 2015年 / 85卷 / 06期

关键词：

aurones; chalcones; molecular modeling; monoamine oxidase inhibitors; QSAR; MONOAMINE-OXIDASE-B; BREAST-CANCER CELLS; NF-KAPPA-B; STRUCTURAL REVISION; HIV-1; PROTEASE; SULFURETIN; EXPRESSION; XANTHOHUMOL; DYNAMICS; DERIVATIVES;

D O I：

10.1111/cbdd.12458

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A series of chalcones and aurones were synthesized and evaluated in vitro as monoamine oxidase inhibitors (MAOi). Our results show that aurones, which had not been previously reported as MAOi, are MAO-B inhibitors. Thus, both families inhibited selectively the B isoform of MAO in the micromolar range, offering novel scaffolds for the design of new and potent MAO inhibitors. The main structural requirements for their activity were characterized with the aid of 3D-QSAR and docking studies.

引用

页码：685 / 695

页数：11

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