The DNA binding features of ruthenium complexes compared with cisplatin: docking, force field and QM/MM studies

The binding of cisplatin with DNA is considered as one of the factors for acquiring anticancer activity. Some ruthenium complexes are also known for their anticancer activity. The DNA binding features of cis-chlorodimethylsulphoxide-S-bis (1,10-phenanthroline) ruthenium (II) chloride, trichlorodimethyl sulphoxideS-(1,10-phenanthroline) ruthenium (III) and cis-dichlorotetrakis (dimethylsulphoxide) ruthenium (II)complexes within cisplatin bonded region of DNA are studied with molecular docking, MM and QM/MM studies. The DNA binding ability of cis-chlorodimethylsulphoxide-S-bis (1,10-henanthroline) ruthenium (II) chloride is similar to that of cisplatin, but other two ruthenium complexes bind less effectively. These complexes bind selectively within the cisplatin occupied region of DNA.