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Molecular orbital studies relating to potential anticancer activity of cis ‐platinum ammines
Author(s) -
Boudreaux Edward A.
Publication year - 2001
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.1216
Subject(s) - chemistry , platinum , guanine , computational chemistry , molecular orbital , stereochemistry , medicinal chemistry , molecule , organic chemistry , biochemistry , catalysis , nucleotide , gene
The binding of platinum(II) diammines to 1‐methylcytosine and guanine has been reevaluated from earlier published molecular orbital calculations, in which the Löwdin overlap charge density has been defined and evaluated for platinum–ammine bonds in the Pt(II) diammine drugs and the PN bonds involved with 1‐methylcytosine and guanine. It is also shown that the effectiveness of anticancer activity is reduced in the Pt(II) diammine drugs, with increasing methyl substitution on the ammine nitrogen. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 255–258, 2001