Homology Modeling and Docking Studies of Cannabinoid Receptor CB1

Acta Chimica Sinica ›› 2011, Vol. 69 ›› Issue (08): 1007-1010. Previous Articles Next Articles

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大麻素受体CB1三维结构的同源模建及其对接研究

涂国刚，李少华*

(南昌大学药学系药物化学教研室南昌 330006)

投稿日期:2010-09-16 修回日期:2010-12-09 发布日期:2010-12-20
通讯作者: 李少华 E-mail:tugg188@yahoo.com.cn

Homology Modeling and Docking Studies of Cannabinoid Receptor CB1

TU Guo-Gang, LI Shao-Hua

(Department of Medicinal Chemistry, School of Pharmaceutical Science, Nanchang University, Nanchang 330006)

Received:2010-09-16 Revised:2010-12-09 Published:2010-12-20

CB1 receptor belongs to G protein-coupled receptor. Using bovine rhodopsin as structural template, the 3D structure of CB1 receptor was built by homology modeling, and refined using molecular dynamics method. On the basis of the modeling, the components and structure of active site in CB1 receptor were analyzed, and the docking of rimonabant with CB1 receptor was investigated. The binding pattern revealed important residues that interacted with the rimonabant. The hydrogen bonding interaction between Lys192 and rimonabant is crucial for CB1 receptor antagonist.

Key words: CB1 receptor, rimonabant, homology modeling, molecular docking

CLC Number:

O641

Cite this article

TU Guo-Gang, LI Shao-Hua. Homology Modeling and Docking Studies of Cannabinoid Receptor CB1[J]. Acta Chimica Sinica, 2011, 69(08): 1007-1010.

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大麻素受体CB1三维结构的同源模建及其对接研究

Homology Modeling and Docking Studies of Cannabinoid Receptor CB1

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