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学科主题: 物理化学
题名: Molecular Dynamic Simulation Insights into the Normal State and Restoration of p53 Function
作者: Fu, Ting1, 2, 3;  Min, Hanyi4, 5;  Xu, Yong6;  Chen, Jianzhong7;  Li, Guohui1
通讯作者: 李国辉
关键词: p53 ;  MDM2 ;  MDMX ;  molecular dynamic simulation ;  conformational change ;  protein-protein interaction ;  protein-ligand interaction
刊名: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
发表日期: 2012-08-01
DOI: 10.3390/ijms13089709
卷: 13, 期:8, 页:9709-9740
收录类别: SCI
文章类型: Review
部门归属: 11
项目归属: 1106
产权排名: 1,1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: As a tumor suppressor protein, p53 plays a crucial role in the cell cycle and in cancer prevention. Almost 50 percent of all human malignant tumors are closely related to a deletion or mutation in p53. The activity of p53 is inhibited by over-active celluar antagonists, especially by the over-expression of the negative regulators MDM2 and MDMX. Protein-protein interactions, or post-translational modifications of the C-terminal negative regulatory domain of p53, also regulate its tumor suppressor activity. Restoration of p53 function through peptide and small molecular inhibitors has become a promising strategy for novel anti-cancer drug design and development. Molecular dynamics simulations have been extensively applied to investigate the conformation changes of p53 induced by protein-protein interactions and protein-ligand interactions, including peptide and small molecular inhibitors. This review focuses on the latest MD simulation research, to provide an overview of the current understanding of interactions between p53 and its partners at an atomic level.
关键词[WOS]: TUMOR-SUPPRESSOR PROTEIN ;  DNA-BINDING DOMAIN ;  N-TERMINAL DOMAIN ;  NUCLEAR-MAGNETIC-RESONANCE ;  STRUCTURE-BASED DESIGN ;  P53-MDM2 INTERACTION ;  TRANSACTIVATION DOMAIN ;  CRYSTAL-STRUCTURE ;  S100 FAMILY ;  MDM2-P53 INTERACTION
语种: 英语
WOS记录号: WOS:000308243400023
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/117955
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, Lab Mol Modeling & Design, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Dalian Univ Technol, Dept Biosci & Biotechnol, Dalian 116024, Peoples R China
3.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
4.Chinese Acad Med Sci, Dept Ophthalmol, Peking Union Med Coll Hosp, Beijing 100730, Peoples R China
5.Peking Union Med Coll, Beijing 100730, Peoples R China
6.Chinese Acad Sci, Inst Biol Chem, Guangzhou Inst Biomed & Hlth, Guangzhou 510530, Guangdong, Peoples R China
7.Shanghai Jiao Tong Univ, Dept Math & Phys, Jinan 250031, Peoples R China

Recommended Citation:
Fu, Ting,Min, Hanyi,Xu, Yong,et al. Molecular Dynamic Simulation Insights into the Normal State and Restoration of p53 Function[J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,2012,13(8):9709-9740.
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