A Theoretical Study of the Binding of [Re6Se8(OH)2(H2O)4] Rhenium Clusters to DNA Purine Base Guanine
Abstract
:1. Introduction
2. Results and Discussion
Complexes | Binding Energy |
---|---|
Cis-[Re6Se8(OH)2(H2O)3]-G | −869.25 kcal/mol |
Trans-[Re6Se8(OH)2(H2O)3]-G | −332.03 kcal/mol |
Cis-[Pt(NH3)2(H2O)]-G2+ | −315.17 kcal/mol |
Cis-[Re6Se8(OH)2(H2O)3] | Trans-[Re6Se8(OH)2(H2O)3] | Cis-[Re6Se8(OH)2(H2O)3]-G | Trans-[Re6Se8(OH)2(H2O)3]-G | Guanine |
---|---|---|---|---|
HOMO -1 | HOMO -1 | HOMO -1 | HOMO-1 | HOMO-1 |
HOMO | HOMO | HOMO | HOMO | HOMO |
LUMO | LUMO | LUMO | LUMO | LUMO |
LUMO +1 | LUMO +1 | LUMO +1 | LUMO +1 | LUMO +1 |
Cis-[Re6Se8(OH)2(H2O)3] | |
Trans-[Re6Se8(OH)2(H2O)3] | |
Cis-[Re6Se8(OH)2(H2O)3]-G | |
Trans-[Re6Se8(OH)2(H2O)3]-G | |
Guanine |
3. Experimental Section
4. Conclusions
Acknowledgments
Author Contributions
Conflicts of Interest
References
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Alvarado-Soto, L.; Ramirez-Tagle, R. A Theoretical Study of the Binding of [Re6Se8(OH)2(H2O)4] Rhenium Clusters to DNA Purine Base Guanine. Materials 2015, 8, 3938-3944. https://doi.org/10.3390/ma8073938
Alvarado-Soto L, Ramirez-Tagle R. A Theoretical Study of the Binding of [Re6Se8(OH)2(H2O)4] Rhenium Clusters to DNA Purine Base Guanine. Materials. 2015; 8(7):3938-3944. https://doi.org/10.3390/ma8073938
Chicago/Turabian StyleAlvarado-Soto, Leonor, and Rodrigo Ramirez-Tagle. 2015. "A Theoretical Study of the Binding of [Re6Se8(OH)2(H2O)4] Rhenium Clusters to DNA Purine Base Guanine" Materials 8, no. 7: 3938-3944. https://doi.org/10.3390/ma8073938