cis-diamminedichloropalladium and its interaction with guanine and guanine-cytosine base pair

摘要

Comprehensive ab initio calculations are performed on cis-diamminedichloropalladium (cispd) at the HF, DFT, MP2, and CISD levels of theory. The results are compared to those obtained for cisplatin. The characteristics of the interactions of cispd with guanine and the guanine-cytosine (GC) base pair are also evaluated and compared to the interactions of cisplatin. Cispd causes similar geometric changes of the base as cis-platinum when complexed to guanine. The palladium and platinum complexes also show similar characteristics when complexed to the GC base pair. However, this study revealed lower dissociation energy of the chlorine ligands and lower interaction energy of the cispd with guanine, which indicates areas of differences between the title Pd and Pt complexes. (C) 2002 Wiley Periodicals, Inc. [References: 44]