Table 6.

Docking results. Binding energies for the best molecular poses of the complexes between copper compounds, doxorubicin, and DNA fragments.

Ligand	Binding Energy (kcal/mol) 1BNA [52]	Binding Energy (kcal/mol) 151D [53]	Interaction
Doxorubicine	−11.09	−11.54	H bond, π-anion
1’ [Cu(Metf)(bipy)(H2O)]2+	−9.69	−7.05	H bond, salt-bridge
2. [Cu(Impy)(Gly)(H2O)]+	−8.82	−6.73	H bond, π-anion
3. [Cu(phen)(Lys)(H2O)]2+ [37]	−11.03	−9.98	H Bond, π-anion, salt-bridge
4. [Cu(bipy)(Orn)(H2O)]2+ [37]	−11.12	−9.68	H bond, salt-bridge, π-anion
5. [Cu(phen)(Gly)(H2O)]+ [38]	−9.5	−8.52	H bond,
6. [Cu(phen)(Orn))(H2O)]2+ [#]	−11.05	−9.43	H bond, salt-bridge, π-anion
7. [Cu(bipy)(Lys)(H2O)]2+ [#]	−11.04	−8.72	H bond, salt-bridge
8. [Cu(phen)2(H2O)]+ [54]	−8.79	−8.53	H bond, π-anion

# Unpublished results.