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- W2120216126 endingPage "1996" @default.
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- W2120216126 abstract "The recent focus on protein-protein interaction networks has increasingly been shifted towards the disruption of protein complexes, which either are mediated by the binding of a globular domain in one protein to a short peptide stretch in another, or involve flat, large, and hydrophobic interfaces that classical small-molecule agents are not always ideally suited. Rational design of therapeutic peptides with high affinity targeting such interactions has emerged as a new and promising tool in discovery of potential drug candidates against associated diseases. The design is commonly based on bioinformatics methods or molecular modeling techniques, indirectly exploiting structure-activity relationship at the level of peptide sequence or directly deriving lead entities from protein complex architecture. Here, a newly rising subfield called computational peptidology that focuses on the use of computational and theoretical approaches to treat peptiderelated problems is comprehensively reviewed on the design and discovery of peptide agents targeting protein-protein interactions. We address a systematic discussion on several representative cases in which the computational peptidology is successfully employed to develop peptide therapeutics. Besides, some problems and pitfalls accompanied with the current use of computational methods in peptide modeling and design are also present. Keywords: Computational peptidology, peptide therapeutics, protein-protein interaction, peptidic drug" @default.
- W2120216126 created "2016-06-24" @default.
- W2120216126 creator A5001716332 @default.
- W2120216126 creator A5045571310 @default.
- W2120216126 creator A5054232966 @default.
- W2120216126 creator A5074703170 @default.
- W2120216126 creator A5080909831 @default.
- W2120216126 date "2013-04-01" @default.
- W2120216126 modified "2023-10-14" @default.
- W2120216126 title "Computational Peptidology: A New and Promising Approach to Therapeutic Peptide Design" @default.
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