Molecular modeling of mu opioid receptor and its interaction with ohmefentanyl
文献类型：期刊论文
| 作者 | Tang, Y; Chen, KX ; Jiang, HL; Wang, ZX; Ji, RY; Chi, ZQ
|
| 刊名 | ACTA PHARMACOLOGICA SINICA
 |
| 出版日期 | 1996-03 |
| 卷号 | 17期号:2页码:156-160 |
| 关键词 | molecular models mu opioid receptor ohmefentanyl analgesic 3D structure-activity relationship |
| ISSN号 | 0253-9756 |
| 文献子类 | Article |
| 英文摘要 | AIM: To build up the structure model of mu opioid receptor, then combined with the receptor model, to investigate the action mechanism of ohmefentanyl on the receptor. METHODS: Using the three-dimensional structure of bacteriorhodopsin as a template, we constructed mu opioid receptor model on computer. Ohmefentanyl was then docked into the supposed receptor binding sites. RESULTS: A good ligand-receptor interaction model was achieved. The possible binding sites were found to be Asp147 and His319. The protonated N atom of ohmefentanyl form potent electrostatic and hydrogen-bonding interactions with residue Asp147 of the receptor, the O atom of the carbonyl group form weak electrostatic and hydrogen-bonding interactions with residue His319, and the two phenyl groups form pi-pi interactions with some aryl residues of the receptor around ligand. CONCLUSION: The ligand-receptor interaction model should be helpful for rational design of novel analgesic. |
| WOS研究方向 | Chemistry ; Pharmacology & Pharmacy |
| 语种 | 英语 |
| CSCD记录号 | CSCD:339716 |
| WOS记录号 | WOS:A1996TZ76400017 |
| 出版者 | ACTA PHARMACOLOGICA SINICA |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/274993]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Tang, Y |
| 作者单位 | CHINESE ACAD SCI,SHANGHAI RES CTR LIFE SCI,SHANGHAI 200031,PEOPLES R CHINA |
| 推荐引用方式 GB/T 7714 | Tang, Y,Chen, KX,Jiang, HL,et al. Molecular modeling of mu opioid receptor and its interaction with ohmefentanyl[J]. ACTA PHARMACOLOGICA SINICA,1996,17(2):156-160. |
| APA | Tang, Y,Chen, KX,Jiang, HL,Wang, ZX,Ji, RY,&Chi, ZQ.(1996).Molecular modeling of mu opioid receptor and its interaction with ohmefentanyl.ACTA PHARMACOLOGICA SINICA,17(2),156-160. |
| MLA | Tang, Y,et al."Molecular modeling of mu opioid receptor and its interaction with ohmefentanyl".ACTA PHARMACOLOGICA SINICA 17.2(1996):156-160. |
入库方式： OAI收割
来源：上海药物研究所
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