6533b858fe1ef96bd12b6dbe
RESEARCH PRODUCT
Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.
ÁLvaro Martínez-camarenaPedro A. Sánchez-murciaSalvador BlascoLeticia GonzálezEnrique García-españasubject
Reaction mechanismAlkylationStereochemistrychemistry.chemical_elementAlkylationMolecular Dynamics SimulationCrystallography X-RayCatalysisSuperoxide dismutaseCoordination ComplexesEthers CyclicMaterials ChemistryMoleculeHumansBinding siteAlkylchemistry.chemical_classificationbiologySuperoxide DismutaseMetals and AlloysGeneral Chemistrybiology.organism_classificationCopperSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialschemistryCeramics and Compositesbiology.proteinTetraQuantum Theorylipids (amino acids peptides and proteins)Copperdescription
Quantum chemical and multiscale calculations reveal the mechanistic pathway of two superoxide dismutase mimetic N-alkylated tetra-azacyclophane copper complexes with remarkable activity. The arrangement of the binding site afforded by the bulky alkyl substituents and the coordinated water molecule as a proton source play key roles in the reaction mechanism.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-06-09 | Chemical communications (Cambridge, England) |