Molecular modeling of interactions between tetrahydroprotoberberines and dopamine receptors
文献类型：期刊论文
| 作者 | Tang, Y; Chen, KX ; Jiang, HL; Jin, GZ; Ji, RY
|
| 刊名 | ACTA PHARMACOLOGICA SINICA
 |
| 出版日期 | 1996-01 |
| 卷号 | 17期号:1页码:8-12 |
| 关键词 | molecular models dopamine receptors tetrahydroprotoberberines l-stepholidine ligands |
| ISSN号 | 0253-9756 |
| 文献子类 | Article |
| 英文摘要 | AIM: To build up the structure models of dopamine receptors, then combined with the receptor models, to investigate the action mechanism of tetrahydroprotoberberines (THPB) on dopamine receptors at the molecular level. METHODS: Using the three-dimensional structure of bacteriorhodopsin as a template, we have constructed dopamine D-1 and D-2 receptor models on computer. l-Stepholidine was selected as the leading compound of THPB and docked into D-1 and D-2 receptor active sites. RESULTS: After manual adjustment and energy minimization, the ligand-receptor interaction models were achieved. Based on these models, the possible action mechanism of THPB on dopamine receptors was suggested that the protonated N atom of THPB form electrostatic interaction and hydrogen-bonding interaction with residue Asp in TM3 of the receptor, the two substituents in D ring of THPB form hydrogen-bonding interactions with two Ser residues in TM5 of the receptor, and the aryl groups form pi - pi interactions with some aryl residues of the receptor around ligand. CONCLUSION: Our ligand-receptor interaction models should be helpful for rational design of more potent drugs. |
| WOS关键词 | RHODOPSIN ; CLONING ; GENE |
| WOS研究方向 | Chemistry ; Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:A1996TQ30000002 |
| 出版者 | ACTA PHARMACOLOGICA SINICA |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/275007]  |
| 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 INST MAT MED,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 interactions between tetrahydroprotoberberines and dopamine receptors[J]. ACTA PHARMACOLOGICA SINICA,1996,17(1):8-12. |
| APA | Tang, Y,Chen, KX,Jiang, HL,Jin, GZ,&Ji, RY.(1996).Molecular modeling of interactions between tetrahydroprotoberberines and dopamine receptors.ACTA PHARMACOLOGICA SINICA,17(1),8-12. |
| MLA | Tang, Y,et al."Molecular modeling of interactions between tetrahydroprotoberberines and dopamine receptors".ACTA PHARMACOLOGICA SINICA 17.1(1996):8-12. |
入库方式： OAI收割
来源：上海药物研究所
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