Optimization of rhodanine scaffold for the development of protein–protein interaction inhibitors. Issue 13 (1st July 2015)

• Record Type: Journal Article
• Authors: Ferro, Stefania; De Luca, Laura; Agharbaoui, Fatima Ezzahra; Christ, Frauke; Debyser, Zeger; Gitto, Rosaria
• Is Part Of: Bioorganic & medicinal chemistry. Volume 23:Issue 13(2015)
• Page Start: 3208
• Page End: 3214
• Publication Date: 2015-07-01
• Subjects: Docking studies -- Synthesis -- Protein–protein interactions -- Antiviral activity; Bioorganic chemistry -- Periodicals; Pharmaceutical chemistry -- Periodicals; Biochemistry -- Periodicals; Chemistry, Clinical -- Periodicals; Chemistry, Organic -- Periodicals; Chimie bio-organique -- Périodiques; Chimie pharmaceutique -- Périodiques; 615.19
• DOI: 10.1016/j.bmc.2015.04.072
• Languages: English
• ISSNs: 0968-0896

Abstract

Graphical abstract: Abstract: 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.