Studies on Quantitative Structure-activity Relationship Between the Structures of Derivatives of Benzamide and Their Antiallergic Activities

Abstract

Abstract: Molecular connectivity index and comparative molecular field analysis (CoMFA)have been applied to the studies of the correlation of the derivatives of benzamide and their antiallergic activities. The results achieved by using CoMFAbased on 3D factors are much better than that obtained by using multiple regression analysis based on majorly 2D structural information. The CoMFAresults show that the dominant factor which affects activity is steric, whereas electrostatic effect only plays an unimportant role.

Key words: 2D/3D-QSAR, Molecular connectivity index, CoMFA, Derivatives of benzamide

CLC Number:

O641

TrendMD:

WU Ya-Ping, XU Lu, ZHOU Yu-Xin, LIU Bai-Li . Studies on Quantitative Structure-activity Relationship Between the Structures of Derivatives of Benzamide and Their Antiallergic Activities[J]. Chem. J. Chinese Universities, 1998, 19(5): 694.

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Studies on Quantitative Structure-activity Relationship Between the Structures of Derivatives of Benzamide and Their Antiallergic Activities

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