RT Journal Article
SR Electronic
T1 Alteration of cytosine-guanine interactions due to N7 metal cation binding: a structure-activity relationship for cisplatin analogues.
JF Molecular Pharmacology
JO Mol Pharmacol
FD American Society for Pharmacology and Experimental Therapeutics
SP 378
OP 382
VO 29
IS 4
A1 G Barnett
YR 1986
UL http://molpharm.aspetjournals.org/content/29/4/378.abstract
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.