Predictive Studies on Interaction Between DNA and Target Molecules

Chem. J. Chinese Universities

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Predictive Studies on Interaction Between DNA and Target Molecules

WANG Lan, GENG Zai-Xin, LU Xiao-Quan, LIU Hong-De, WANG Rui, CHEN Jing

College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, China

Received:2006-02-28 Revised:1900-01-01 Online:2007-01-10 Published:2007-01-10
Contact: LU Xiao-Quan

Abstract

Abstract: On the basis of the quantified data of molecular structures and the experimental results, the pattern recognition techniques, multiple linear regression and artificial neural network were applied to studying the main influencing factors for the interaction between DNA and the target molecules, and two predictable models of binding constant and one binding mode which have a high accurate were established. First, 21 structural descriptors(parameters) were used to describe a target molecule. After filtering, 10 descriptors were found to affect remarkably the interaction between the target molecules and DNA. These studies could afford valuable information to design and filter molecules of anticancer drugs.

Key words: DNA, Interaction, Principle component analysis, Artificial neutral networks

CLC Number:

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WANG Lan, GENG Zai-Xin, LU Xiao-Quan, LIU Hong-De, WANG Rui, CHEN Jing. Predictive Studies on Interaction Between DNA and Target Molecules[J]. Chem. J. Chinese Universities, doi: .

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Predictive Studies on Interaction Between DNA and Target Molecules

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