Theoretical Investigation of Interaction Between Di-nuclear Platinum Drug and DNA Duplex

Abstract

Abstract:

Detailed studies of the geometrical and electrical configuration of the composite compound of the di-nuclear platinum compound ［{trans-PtCl(NH₃)₂}₂(μ-NH₂(CH₂)_nNH₂)］²⁺and the 12-mer duplex d(ATATG*TACATAT)·d(ATATG*TACATAT) were performed by using the molecular mechanics and quantum chemistry methods. The investigating result shows that the coordinate bonds between Pt of the di-nuclear platinum composite compound and two N7′s of guanines in the DNA duplex are the most important interaction and hydrogen bond interactions are critical factors influencing the configuration of the composite compound. Based on the calculation results,we claim that little distortion of DNA binding the di-nuclear platinum complex may result in a significantly different antitumor activity from cis-platin.

Key words: Di-nuclear platinum drug ［{trans-PtCl(NH₃)₂}₂(μ-NH₂(CH₂)_nNH₂)］²⁺; Molecular mechanics(MM); Quantum chemistry method

CLC Number:

O641

TrendMD:

HUANG Su-Lan, HAO Lan, TAN Hong-Wei, CHEN Guang-Ju. Theoretical Investigation of Interaction Between Di-nuclear Platinum Drug and DNA Duplex[J]. Chem. J. Chinese Universities, 2006, 27(3): 531.

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Theoretical Investigation of Interaction Between Di-nuclear Platinum Drug and DNA Duplex

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