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KMID : 1059519900340040331
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Journal of the Korean Chemical Society
1990 Volume.34 No. 4 p.331 ~ p.339
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The MO Study about Interaction of cis-Diamminedichloroplatinum (cis-DDP) Complexes with DNA base, 1-Methylcytosine, for Development of Anti-Tumor Drugs
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Kim Ui-Rak
Kim Sang-Hae
Boudreaux Edward A.
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Abstract
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It has been studied that relations between electronic structure and anti-tumor activity by variation of amine group in cis-diamminedichloroplatinum (Ⅱ) complexes. We were also interested in these Pt (Ⅱ) complexes interaction with 1-methylcytosine of DNA base and the electronic structure of these complexes in order to understand the mechanism of the metal-nucleobases interaction. The results showed that net charge of center metal in Pt complexes effect anti-tumor activity. The mechanisgm of the bonding between metal and ligands largely based on charge transfer from ligand to metal atom. Furthermore, the established molecular orbitals showed that metal 6p-orbitals played an important role in the bonding scheme for the interactions between platinum (Ⅱ) complexes and 1-methylcytosine. We also found that the stronger Pt-N3 bonding strength became, the better anti-tumor agents were.
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KEYWORD
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