Computational design of peptide ligands |
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Authors: | Vanhee Peter van der Sloot Almer M Verschueren Erik Serrano Luis Rousseau Frederic Schymkowitz Joost |
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Institution: | 1 VIB SWITCH Laboratory, Flanders Institute of Biotechnology (VIB), Pleinlaan 2, 1050 Brussels, Belgium 2 Free University of Brussels (VUB), Pleinlaan 2, 1050 Brussels, Belgium 3 EMBL/CRG Systems Biology Research Unit, Centre for Genomic Regulation (CRG), UPF, Dr. Aiguader 88, 08003 Barcelona, Spain 4 ICREA Professor, Centre for Genomic Regulation (CRG), UPF, Barcelona, Spain |
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Abstract: | Peptides possess several attractive features when compared to small molecule and protein therapeutics, such as high structural compatibility with target proteins, the ability to disrupt protein-protein interfaces, and small size. Efficient design of high-affinity peptide ligands via rational methods has been a major obstacle to the development of this potential drug class. However, structural insights into the architecture of protein-peptide interfaces have recently culminated in several computational approaches for the rational design of peptides that target proteins. These methods provide a valuable alternative to experimental high-resolution structures of target protein-peptide complexes, bringing closer the dream of in silico designed peptides for therapeutic applications. |
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