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. 2020 Oct 14;25(20):4679. doi: 10.3390/molecules25204679

Table 7.

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

Ligand Binding Energy (kcal/mol)
6TNA
Interaction
Doxorubicin −9.82 H bond, van der Waals, π-anion
[Cu(hydroxynaphthaldehyde)(H2O)] −7.98 H bond, van der Waals, π-anion, π-π
1′ [Cu(Metf)(bipy)(H2O)]2+ −12.76 H bond, van der Waals, π-anion
2 [Cu(Impy)(Gly)(H2O)]+ −8.86 H bond, van der Waals, π-anion