PT  - JOURNAL ARTICLE
AU  - G Barnett
TI  - Alteration of cytosine-guanine interactions due to N7 metal cation binding: a structure-activity relationship for cisplatin analogues.
DP  - 1986 Apr 01
TA  - Molecular Pharmacology
PG  - 378--382
VI  - 29
IP  - 4
4099  - http://molpharm.aspetjournals.org/content/29/4/378.short
4100  - http://molpharm.aspetjournals.org/content/29/4/378.full
SO  - Mol Pharmacol1986 Apr 01; 29
AB  - Metal cation binding to N7 of guanine (G) and the resulting altered interaction with cytosine (C) were investigated by ab initio quantum chemical calculations for the ions Li+, Na+, B+, Be2+, and Mg2+. It was found that the CG H-bonding interaction becomes more stable and the stacking interaction less stable as the charge density for the ion (ion charge/ionic radius) increases. From this observation a hypothesis is presented for a structure-activity relationship, which is supported by in vivo animal data, that may permit the design of less toxic analogues of the antitumor agent cisplatin.