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Optimization of rhodanine scaffold for the development of protein-protein interaction inhibitors.
- Source :
-
Bioorganic & medicinal chemistry [Bioorg Med Chem] 2015 Jul 01; Vol. 23 (13), pp. 3208-14. Date of Electronic Publication: 2015 May 02. - Publication Year :
- 2015
-
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.<br /> (Copyright © 2015 Elsevier Ltd. All rights reserved.)
- Subjects :
- Adaptor Proteins, Signal Transducing chemistry
Adaptor Proteins, Signal Transducing metabolism
Binding Sites
Drug Discovery
HIV Integrase metabolism
HIV Integrase Inhibitors pharmacology
HIV-1 enzymology
HIV-1 growth & development
High-Throughput Screening Assays
Humans
Hydrogen Bonding
Lymphocytes drug effects
Lymphocytes virology
Molecular Docking Simulation
Molecular Dynamics Simulation
Protein Binding drug effects
Rhodanine analogs & derivatives
Rhodanine pharmacology
Structure-Activity Relationship
Transcription Factors chemistry
Transcription Factors metabolism
User-Computer Interface
Adaptor Proteins, Signal Transducing antagonists & inhibitors
HIV Integrase chemistry
HIV Integrase Inhibitors chemical synthesis
HIV-1 drug effects
Host-Pathogen Interactions drug effects
Rhodanine chemical synthesis
Transcription Factors antagonists & inhibitors
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3391
- Volume :
- 23
- Issue :
- 13
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 25999203
- Full Text :
- https://doi.org/10.1016/j.bmc.2015.04.072