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Computational peptidology: a new and promising approach to therapeutic peptide design.

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WOS被引频次:73
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成果类型:
期刊论文
作者:
Zhou, P.*;Wang, C.;Ren, Y.;Yang, C.;Tian, F.
通讯作者:
Zhou, P.
作者机构:
[Wang, C.; Zhou, P.; Yang, C.] Univ Elect Sci & Technol China, Sch Life Sci & Technol, Ctr Bioinformat COBI, Chengdu 610054, Peoples R China.
[Ren, Y.] Chongqing Univ Educ, Dept Biol & Chem Engn, Chongqing 400067, Peoples R China.
[Tian, F.] Southwest Jiaotong Univ, Sch Life Sci & Engn, Chengdu 610031, Peoples R China.
[Zhou, P.] UESTC, Sch Life Sci Technol, Chengdu 610054, Peoples R China.
通讯机构:
[Zhou, P.] UESTC, Sch Life Sci Technol, Chengdu 610054, Peoples R China.
语种:
英文
关键词:
Computational peptidology;peptide therapeutics;protein-protein interaction;peptidic drug
期刊:
Current medicinal chemistry
ISSN:
0929-8673
年:
2013
卷:
20
期:
15
页码:
1985-1996
文献类别:
WOS:Article;PUBMED:Journal Article
入藏号:
基金类别:
National Natural Science Foundation of China [31200993]; Young Teacher Doctoral Discipline Fund of Ministry of Education [20120185120025]; Fundamental Research Funds for the Central Universities [ZYGX2012J111]; Scientific Research Fund of UESTC
机构署名:
本校为其他机构
院系归属:
生命科学与工程学院
摘要:
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 peptide-related 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.
参考文献:
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