Computational Drug Design Targeting Protein-Protein Interactions
| Autor: | Rachelle J. Bienstock |
|---|---|
| Rok vydání: | 2012 |
| Předmět: |
Drug
Protein interface Models Molecular Pharmacology Computer science Drug discovery media_common.quotation_subject Clinical Biochemistry Molecular Disease Proteins Plasma protein binding Computational biology Molecular Dynamics Simulation Small molecule Protein–protein interaction Drug Delivery Systems Docking (molecular) Drug Design Drug Discovery Protein Interaction Mapping Animals Computer-Aided Design Humans media_common Protein Binding |
| Zdroj: | Current Drug Metabolism. 18:1240-1254 |
| ISSN: | 1389-2002 |
| Popis: | Novel discoveries in molecular disease pathways within the cell, combined with increasing information regarding protein binding partners has lead to a new approach in drug discovery. There is interest in designing drugs to modulate protein-protein interactions as opposed to solely targeting the catalytic active site within a single enzyme or protein. There are many challenges in this new approach to drug discovery, particularly since the protein-protein interface has a larger surface area, can comprise a discontinuous epitope, and is more amorphous and less well defined than the typical drug design target, a small contained enzyme-binding pocket. Computational methods to predict modes of protein-protein interaction, as well as protein interface hot spots, have garnered significant interest, in order to facilitate the development of drugs to successfully disrupt and inhibit protein-protein interactions. This review summarizes some current methods available for computational protein-protein docking, as well as tabulating some examples of the successful design of antagonists and small molecule inhibitors for protein-protein interactions. Several of these drugs are now beginning to appear in the clinic. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|