Citation: Hua Bei ZHANG, Chun Ping LIU. 3D-QSAR Analysis of Agonists of nAChRs: Epibatidine Analogues[J]. Chinese Chemical Letters, ;2004, 15(11): 1380-1382. shu

3D-QSAR Analysis of Agonists of nAChRs: Epibatidine Analogues

Department of Chemistry, Beijing Normal University, Beijing 100875

Received Date: 20 October 2003

A 3 D-QSAR about nAChRs agonists-epibatidine analogues was performed using the CoMFA and CoMSIA. The correlation coefficients were R_cv²=0.546, R_ncv²=0.907 in CoMFA and R_cv²=0.655, R_ncv²=0.962 in CoMSIA of the final model. The prediction using the final models to the test set was r²=0.675 in CoMFA and r²=0.462 in CoMSIA. This model will be useful in the design of novel compounds with high affinity.
- 3D-QSAR,
- CoMFA,
- CoMSIA,
- nAChRs,
- agonists
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