Optimization of rhodanine scaffold for the development of protein-protein interaction inhibitors

被引：5

作者：

Ferro, Stefania ^{[1
]}

De Luca, Laura ^{[1
]}

Agharbaoui, Fatima Ezzahra ^{[1
]}

Christ, Frauke ^{[2
,3
]}

Debyser, Zeger ^{[2
,3
]}

Gitto, Rosaria ^{[1
]}

机构：

[1] Univ Messina, Dipartimento Sci Farmaco & Prod Salute, I-98168 Messina, Italy

[2] Katholieke Univ Leuven, Mol Med, B-3000 Leuven, Flanders, Belgium

[3] IRC KULAK, B-3000 Leuven, Flanders, Belgium

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2015年 / 23卷 / 13期

关键词：

Docking studies; Synthesis; Protein-protein interactions; Antiviral activity; HIV-1; INTEGRASE; MOLECULAR-MECHANICS; BINDING-SITE; LEDGF/P75; INSIGHT; DISCOVERY; ADHERENCE; DOCKING; DESIGN;

D O I：

10.1016/j.bmc.2015.04.072

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：

Searching for novel protein-protein interactions inhibitors (PPIs) herein we describe the identification of a new series of rhodanine derivatives. The selection was performed by means virtual-screening, docking studies, Molecular Dynamic (MD) simulations and synthetic approaches. All the new obtained compounds were tested in order to evaluate their ability to inhibit the interaction between the HIV-1 integrase (IN) enzyme and the nuclear protein lens epithelium growth factor LEDGF/p75. (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：3208 / 3214

页数：7

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