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学科主题: 物理化学
题名: Exploring the Relationship between Sequences, Structures, Dynamical Behaviors and Functions of New Type Protein Drugs: DARPins
作者: Wu, Xue1, 2, 3;  Shi, Yue4;  Ren, Pengyu4;  Wang, Deping5;  Li, Guohui1
通讯作者: 李国辉
关键词: Molecular dynamics simulation DARPins protein drug ;  dynamical cross correlation stability
刊名: CURRENT PHARMACEUTICAL DESIGN
发表日期: 2013-04-01
卷: 19, 期:12, 页:2308-2317
收录类别: SCI
合作性质: 
文章类型: Article
部门归属: 11
项目归属: 1106
产权排名: 待补充
WOS标题词: Science & Technology ;  Life Sciences & Biomedicine
类目[WOS]: Pharmacology & Pharmacy
资助者: 1,1
研究领域[WOS]: Pharmacology & Pharmacy
英文摘要: DARPins (designed ankyrin repeat proteins), new kinds of binding proteins, have the potential to overcome the defects of monoclonal antibodies, and hence may become the alternatives to antibodies and generate a novel therapeutic approach. DARPins can be selected to bind any given target proteins with high affinity and specificity. In the process of binding to target proteins, the reason why DARPins have high affinity to target proteins as well as the correlation among sequences, structures, dynamical behaviors and binding to target proteins are still unknown. This paper studied DARPins using the AMBER package with ff03 force field for molecular dynamics simulations, providing a theoretical basis for the research on a new type of protein drug. This shows that the DARPins have more dynamical behaviors regularity after binding to target proteins compared with non-binding DARPins, but the binding to target proteins does not always stabilize the structures of DARPins, and the changes in the regions of beta-turn and loop are the most obvious. The changes in hydrogen bonds and hydrophobic interactions have close relationship with the changes in the stability and cross correlation of DARPins.
关键词[WOS]: ANKYRIN-REPEAT PROTEINS ;  BINDING-MOLECULES ;  INHIBITION ;  LIBRARIES ;  SELECTION ;  AFFINITY ;  BINDERS ;  DOMAIN
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000316457700017
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/119278
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Lab Mol Modeling & Design, Beijing 100864, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
3.Dalian Univ Technol, Sch Environm & Biol Sci & Technol, Dept Biosci & Biotechnol, Dalian, Peoples R China
4.Univ Texas Austin, Dept Biomed Engn, Austin, TX 78712 USA
5.Biogen Idec Inc, Cambridge, MA 02142 USA

Recommended Citation:
Wu, Xue,Shi, Yue,Ren, Pengyu,et al. Exploring the Relationship between Sequences, Structures, Dynamical Behaviors and Functions of New Type Protein Drugs: DARPins[J]. CURRENT PHARMACEUTICAL DESIGN,2013,19(12):2308-2317.
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