Urate as a CO3•− Scavenger and Regulator of SOD-1 and OGG1 Enzymes: Insights from DFT, Molecular Docking, and Molecular Dynamics
Ana Amić, Žiko Milanović, Denisa Mastiľák Cagardová · 2026
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Description
Ana Amić, Žiko Milanović, and Denisa Mastiľák Cagardová compute how urate, a common antioxidant in human blood, fights the carbonate radical, in a 2026 study. That radical may be a bigger source of oxidative harm than the hydroxyl radical long blamed. Using quantum chemistry, the team weighed how water clinging to the players changes the speed and drive of a one-electron handoff from urate to the radical.
The summed rates matched the measured value well, backing the model. Docking tests placed urate snugly in the active pocket of SOD1, an enzyme where it may cut radical making at the source, and it bound more strongly than a known blocker there. Its grip on a DNA repair enzyme was weaker than that enzyme's known blocker. Motion checks showed urate's binding shook neither protein.
Catalog record
| CREATOR | Ana Amić, Žiko Milanović, Denisa Mastiľák Cagardová |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 38 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |