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Acta Phys. -Chim. Sin.  1998, Vol. 14 Issue (05): 444-447    DOI: 10.3866/PKU.WHXB19980512
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.

Key wordsImidazole-1-carboxylates      3D-QSAR      Inhibitor      Stock action of aromatic rings     
Received: 08 September 1997      Published: 15 May 1998
Corresponding Authors: Wang Jin-Ling   
Cite this article:

Wang Jin-Ling, Sun Ming, Su Hua-Qing, Miao Fang-Ming. 3D-Quantitative Structure-Activity Relationship Studies of Imidazole-1-carboxylates. Acta Phys. -Chim. Sin., 1998, 14(05): 444-447.

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