Bisabolangelone, a gastric H+/K+-ATPase inhibitor: homology modeling and docking study
文献类型：期刊论文
| 作者 | Luo, Hua-Jun1; Wang, Jun-Zhi1; Deng, Wei-Qiao2; Huang, Nian-Yu1; Zou, Kun1 |
| 刊名 | medicinal chemistry research
 |
| 出版日期 | 2012-09-01 |
| 卷号 | 21期号:9页码:2476-2479 |
| 关键词 | H+/K+-ATPase Bisabolangelone Homology modeling Docking |
| 英文摘要 | the homology model of human gastric h+/k+-atpase has been produced based on the template provided by pig gastric h+/k+-atpase (pdb code: 3ixz). after molecular mechanics optimization, induced-fit docking simulation between gastric h+/k+-atpase and bisabolangelone that has significantly inhibition activity of h+/k+-atpase was performed. the results of ligand docking showed that the binding pocket involves the amino acid residues asp101, asp102, tyr105, leu106, val296, phe297, met299, ala300, tyr764, tyr767, leu774, gly777, cys778, ile779, gln889, tyr893, and ile952. the hydrogen bonds are formed between bisabolangelone and the amino acid residues cys778, gln889, and tyr893. |
| WOS标题词 | science & technology ; life sciences & biomedicine |
| 类目[WOS] | chemistry, medicinal |
| 研究领域[WOS] | pharmacology & pharmacy |
| 关键词[WOS] | ion-transport ; flexibility ; h,k-atpase ; vesicles |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000307268100040 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/143057]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.China Three Gorges Univ, Coll Chem & Life Sci, Hubei Key Lab Nat Prod Res & Dev, Yichang 443002, Hubei, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Liaoning, Peoples R China |
| 推荐引用方式 GB/T 7714 | Luo, Hua-Jun,Wang, Jun-Zhi,Deng, Wei-Qiao,et al. Bisabolangelone, a gastric H+/K+-ATPase inhibitor: homology modeling and docking study[J]. medicinal chemistry research,2012,21(9):2476-2479. |
| APA | Luo, Hua-Jun,Wang, Jun-Zhi,Deng, Wei-Qiao,Huang, Nian-Yu,&Zou, Kun.(2012).Bisabolangelone, a gastric H+/K+-ATPase inhibitor: homology modeling and docking study.medicinal chemistry research,21(9),2476-2479. |
| MLA | Luo, Hua-Jun,et al."Bisabolangelone, a gastric H+/K+-ATPase inhibitor: homology modeling and docking study".medicinal chemistry research 21.9(2012):2476-2479. |
入库方式： OAI收割
来源：大连化学物理研究所
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