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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 1998,Vol.14>> Issue(05)>> 444-447     doi: 10.3866/PKU.WHXB19980512         中文摘要
3D-Quantitative Structure-Activity Relationship Studies of Imidazole-1-carboxylates
Wang Jin-Ling, Sun Ming, Su Hua-Qing, Miao Fang-Ming
Institute of Crystallography,Tianjin Normal University,Tianjin 300074
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 A set of 20 novel imidazole-1-carboxylates compounds inhibiting botrylis cinerea has been investigated by Comparative Molecular Field Analysis (CoMFA). Quantitative Structure -Activity Relationship (3D - QSAR) model with high prediction has been obtained. The result showed that the steric effect is the dominant factor affecting the activity. And the stock action of aromatic rings which may by related to the recognition of acceptor has been found.



Keywords: Imidazole-1-carboxylates   3D-QSAR   Inhibitor   Stock action of aromatic rings  
Received: 1997-09-08 Accepted: 1997-10-27 Publication Date (Web): 1998-05-15
Corresponding Authors: Wang Jin-Ling Email:


Cite this article: Wang Jin-Ling, Sun Ming, Su Hua-Qing, Miao Fang-Ming. 3D-Quantitative Structure-Activity Relationship Studies of Imidazole-1-carboxylates[J]. Acta Phys. -Chim. Sin., 1998,14 (05): 444-447.    doi: 10.3866/PKU.WHXB19980512
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