Molecular orbital studies relating to potential anticancer activity ofcis-platinum ammines

Autor:	Edward A. Boudreaux
Rok vydání:	2001
Předmět:	chemistry.chemical_compound chemistry Computational chemistry Guanine chemistry.chemical_element Charge density Molecular orbital Cis-platinum Physical and Theoretical Chemistry Condensed Matter Physics Platinum Atomic and Molecular Physics and Optics
Zdroj:	International Journal of Quantum Chemistry. 83:255-258
ISSN:	1097-461X 0020-7608
DOI:	10.1002/qua.1216
Popis:	The binding of platinum(II) diammines to 1-methylcytosine and guanine has been reevaluated from earlier published molecular orbital calculations, in which the Lowdin 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
Databáze:	OpenAIRE
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