Investigating the putative binding-mode of GABA and diazepam within GABA(A) receptor using molecular modeling
文献类型：期刊论文
| 作者 | Ci, Suqin1,2; Ren, Tianrui1; Su, Zhiguo1 |
| 刊名 | PROTEIN JOURNAL
 |
| 出版日期 | 2008-02-01 |
| 卷号 | 27期号:2页码:71-78 |
| 关键词 | GABA(A) receptor GABA diazepam homology modeling docking study |
| ISSN号 | 1572-3887 |
| 其他题名 | Protein J. |
| 中文摘要 | The three-dimensional structure of the GABA(A) receptor that included the ligand/agonist binding site was constructed and validated by using molecular modeling technology. Moreover, the putative binding-mode of GABA and diazepam with GABA(A) receptor were investigated by means of docking studies. Based on an rmsd-tolerance of 1.0 angstrom, the docking of GABA to alpha 1/beta 2 interface resulted in three multi-member conformational clusters and model 2 was supported by homologous sequence alignment data and experimental evidence. On the other hand, the docking of diazepam to alpha 1/gamma 2 interface revealed five multi-member conformational clusters in the binding site and model 1 seemed to represent the correct orientation of diazepam in the binding site. |
| 英文摘要 | The three-dimensional structure of the GABA(A) receptor that included the ligand/agonist binding site was constructed and validated by using molecular modeling technology. Moreover, the putative binding-mode of GABA and diazepam with GABA(A) receptor were investigated by means of docking studies. Based on an rmsd-tolerance of 1.0 angstrom, the docking of GABA to alpha 1/beta 2 interface resulted in three multi-member conformational clusters and model 2 was supported by homologous sequence alignment data and experimental evidence. On the other hand, the docking of diazepam to alpha 1/gamma 2 interface revealed five multi-member conformational clusters in the binding site and model 1 seemed to represent the correct orientation of diazepam in the binding site. |
| WOS标题词 | Science & Technology ; Life Sciences & Biomedicine |
| 类目[WOS] | Biochemistry & Molecular Biology |
| 研究领域[WOS] | Biochemistry & Molecular Biology |
| 关键词[WOS] | AMINOBUTYRIC ACID(A) RECEPTOR ; AGONIST-BINDING ; NICOTINIC RECEPTORS ; A RECEPTORS ; EXTRACELLULAR DOMAIN ; GAMMA(2) SUBUNIT ; ALPHA-SUBUNIT ; FORCE-FIELD ; PROTEIN ; SITE |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000254758000001 |
| 公开日期 | 2013-10-08 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/2730]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Natl Key Lab Biochem Engn, Inst Proc Engn, Beijing 100080, Peoples R China 2.Grad Univ, Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ci, Suqin,Ren, Tianrui,Su, Zhiguo. Investigating the putative binding-mode of GABA and diazepam within GABA(A) receptor using molecular modeling[J]. PROTEIN JOURNAL,2008,27(2):71-78. |
| APA | Ci, Suqin,Ren, Tianrui,&Su, Zhiguo.(2008).Investigating the putative binding-mode of GABA and diazepam within GABA(A) receptor using molecular modeling.PROTEIN JOURNAL,27(2),71-78. |
| MLA | Ci, Suqin,et al."Investigating the putative binding-mode of GABA and diazepam within GABA(A) receptor using molecular modeling".PROTEIN JOURNAL 27.2(2008):71-78. |
入库方式： OAI收割
来源：过程工程研究所
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