The Inhibition of Nitroaromatics to the Enzymic Activity of Catalase of Carp Liver and QSAR Study

Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (9): 1364.

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The Inhibition of Nitroaromatics to the Enzymic Activity of Catalase of Carp Liver and QSAR Study

XU jing-Bo, LANG Pei-Zhen, LU Guang-Hua, ZHANG Hui

Environmental Science Department Northeast Normal University, Changchun, 130024

Received:1994-09-29 Revised:1995-04-14 Online:1995-09-24 Published:1995-09-24

Abstract

Abstract: EC50 values of 14 nitroaromatic compounds to the enzymic activity of catalase of carp liver were measured in vitro.The quantitative structure-activity relationship (QSAR) studies were carried out with the-logEC50 values of 14 nitroaromatic compounds to the enzymic activity of catalase using the indicator variable I,the sum of substituent constant Σσ^-, the first-order valence molecular connectivity index ¹X^v, the molecular shape index ¹K_a, the energy of lowest unoccupied orbital ELUMO and the octanol/water partition coefficients logPas variables.The results showed that the ¹K_aand Σσ^-were closely correlated with toxicity of nitroaromatic compounds. Successful QSARs were developed with correlation coefficients of r 0. 867 and 0. 939, for 14 nitroaromatic compounds based on EC50 values of catalase activities of carp liver.

Key words: Nitroaromatic compounds, Carp, Catalase, EC50, QSAR

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XU jing-Bo, LANG Pei-Zhen, LU Guang-Hua, ZHANG Hui. The Inhibition of Nitroaromatics to the Enzymic Activity of Catalase of Carp Liver and QSAR Study[J]. Chem. J. Chinese Universities, 1995, 16(9): 1364.

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The Inhibition of Nitroaromatics to the Enzymic Activity of Catalase of Carp Liver and QSAR Study

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