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Citation: Wang Jin-Ling, Sun Ming, Su Hua-Qing, Miao Fang-Ming. 3D-Quantitative Structure-Activity Relationship Studies of Imidazole-1-carboxylates[J]. Acta Physico-Chimica Sinica, ;1998, 14(05): 444-447. doi: 10.3866/PKU.WHXB19980512 shu

3D-Quantitative Structure-Activity Relationship Studies of Imidazole-1-carboxylates

1.
Institute of Crystallography,Tianjin Normal University,Tianjin 300074

Received Date: 8 September 1997
Available Online: 15 May 1998

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.
- Imidazole-1-carboxylates,
- 3D-QSAR,
- Inhibitor,
- Stock action of aromatic rings
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