A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors
文献类型：期刊论文
| 作者 | Wang, Jenna L.; Guo, Jian-Xin; Zhang, Qi-Yuan; Wu, Jay J. -Q.; Seifert, Roland; Lushington, Gerald H. |
| 刊名 | BIOORGANIC & MEDICINAL CHEMISTRY
 |
| 出版日期 | 2007-04-15 |
| 卷号 | 15期号:8页码:2993-3002 |
| 关键词 | Adenylyl Cyclase Conformational Transition Molecular Modeling Mant-substituted Nucleotides |
| ISSN号 | 0968-0896 |
| DOI | 10.1016/j.bmc.2007.02.014 |
| 英文摘要 | Adenylyl cyclases (ACs) are promising pharmacological targets for treating heart failure, cancer, and psychosis. Ribose-substituted nucleotides have been reported as a potent family of AC inhibitors. In silico analysis of the docked conformers of such nucleotides in AC permits assembly of a consistent, intuitive QSAR model with strong correlation relative to measured pK(i) values. Energy decomposition suggests that the MANT group effects an AC conformational transition upon ligand binding. (c) 2007 Elsevier Ltd. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000245637200021 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/62527]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Lushington, Gerald H. |
| 作者单位 | 1.Univ Kansas, Mol Graph & Modeling Lab, Lawrence, KS 66045 USA 2.VM Discovery, Fremont, CA 94538 USA 3.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Stable & Unstable Speci, Beijing 100080, Peoples R China 4.Univ Regensburg, Dept Pharmacol & Toxicol, D-8400 Regensburg, Germany |
| 推荐引用方式 GB/T 7714 | Wang, Jenna L.,Guo, Jian-Xin,Zhang, Qi-Yuan,et al. A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors[J]. BIOORGANIC & MEDICINAL CHEMISTRY,2007,15(8):2993-3002. |
| APA | Wang, Jenna L.,Guo, Jian-Xin,Zhang, Qi-Yuan,Wu, Jay J. -Q.,Seifert, Roland,&Lushington, Gerald H..(2007).A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors.BIOORGANIC & MEDICINAL CHEMISTRY,15(8),2993-3002. |
| MLA | Wang, Jenna L.,et al."A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors".BIOORGANIC & MEDICINAL CHEMISTRY 15.8(2007):2993-3002. |
入库方式： OAI收割
来源：化学研究所
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