@article {Barnett378, author = {G Barnett}, title = {Alteration of cytosine-guanine interactions due to N7 metal cation binding: a structure-activity relationship for cisplatin analogues.}, volume = {29}, number = {4}, pages = {378--382}, year = {1986}, publisher = {American Society for Pharmacology and Experimental Therapeutics}, abstract = {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.}, issn = {0026-895X}, URL = {https://molpharm.aspetjournals.org/content/29/4/378}, eprint = {https://molpharm.aspetjournals.org/content/29/4/378.full.pdf}, journal = {Molecular Pharmacology} }