Simulating the interactions of toxins with K+ channels
文献类型：期刊论文
| 作者 | Huang, XQ; Liu, H ; Cui, M; Fu, W; Yu, KQ; Chen, KX; Luo, XM; Shen, JH; Jiang, HL
|
| 刊名 | CURRENT PHARMACEUTICAL DESIGN
 |
| 出版日期 | 2004 |
| 卷号 | 10期号:9页码:1057-1067 |
| 关键词 | toxins K+ channels Brownian dynamics electrostatic potential structure-function relationships |
| ISSN号 | 1381-6128 |
| DOI | 10.2174/1381612043452776 |
| 文献子类 | Review |
| 英文摘要 | Toxins have been important tools to characterize the structures and functions of K 4 channels in recent years due to their unique blockage of the K+ current and other physiological functions to the K+ channels, especially the voltage-gated K+ channels. Knowledge of the interacting surfaces between the toxins and the channels has been accumulated both from biological explorations and theoretical simulations. It has been round that the electrostatic potentials act as the driving force for the recognition of the toxins with the channels, and the orientation of the toxins over the channels follows the direction of the dipole moment. The binding site is composed most of the conservative residues of the negatively charged rings of Asp/Glu and residues around the edge of the central pore. The selectivity mainly comes from the type and distribution of the positive charged residues, and the whole topologies of the toxins. Based on the molecular determinants of the complex formation, and taking advantage of the structure-based methodologies of molecular design, it is hopefully to develop new generation of lead compounds specifically binding with subtypes of K+ channels. |
| WOS关键词 | KAPPA-CONOTOXIN-PVIIA ; SHAKER POTASSIUM CHANNEL ; BROWNIAN DYNAMICS SIMULATIONS ; PROTEIN-PROTEIN INTERACTIONS ; T-CELL-ACTIVATION ; SCORPION TOXIN ; ION CHANNELS ; 3-DIMENSIONAL STRUCTURE ; HIGH-AFFINITY ; CHEMICAL-SYNTHESIS |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000220273900011 |
| 出版者 | BENTHAM SCIENCE PUBL LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/274128]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Jiang, HL |
| 作者单位 | 1.Florida State Univ, Inst Mol Biophys, Tallahassee, FL 32306 USA 2.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, Ctr Drug Discovery & Design, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang, XQ,Liu, H,Cui, M,et al. Simulating the interactions of toxins with K+ channels[J]. CURRENT PHARMACEUTICAL DESIGN,2004,10(9):1057-1067. |
| APA | Huang, XQ.,Liu, H.,Cui, M.,Fu, W.,Yu, KQ.,...&Jiang, HL.(2004).Simulating the interactions of toxins with K+ channels.CURRENT PHARMACEUTICAL DESIGN,10(9),1057-1067. |
| MLA | Huang, XQ,et al."Simulating the interactions of toxins with K+ channels".CURRENT PHARMACEUTICAL DESIGN 10.9(2004):1057-1067. |
入库方式： OAI收割
来源：上海药物研究所
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