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KMID : 1059519850290040348
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Journal of the Korean Chemical Society
1985 Volume.29 No. 4 p.348 ~ p.355
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MO Interpretation for Anticancer Activity of Pt-complexes
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Park Byung-Kak
Yeo Hwhan-Jin
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Abstract
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Extended Huckel Calculation of cis-and trans-dichloro diammine platinum(Ⅱ), dichloroethylene diamine platinum(Ⅱ) and their N-mono, di, tri and tetra-methylated or ethylated ones were carried out to investigate their anticancer activity. It was found that the net charge of two chlorine atoms in cis-isomers are greater than those in trans-ones and Pt-Cl bond energies of the former are less than that of the latter, indicating that Pt-Cl bond in cis-isomers has greater ionic character than that in trans-ones and Cl atoms in the former are easier to dissociated as Cl- than those in the latter. Also, the values of b2g-b1g energy difference, △1 were found to be greater in cis-isomers than in trans-one without exceptions. For the substitution of methyl for H atom in ammine and ethylenediamine Pt-Cl bond strength shows the tendency to increase with increasing in number of methyl group. Accordingly, We believe that two Cl atoms in PtLCl2-complexes (L: NH3, en) are dissociated in the first step of the action of anticancer.
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