Journal of inorganic biochemistryAuranofinDensity Functional TheoryComputational BiologyGoldOrganogold Compounds
Combined computational and bioinformatic approach to uncover the pre-covalent protein interactions of auranofin and its chlorido derivative Au(PEt₃)Cl.
Iogann Tolbatov, Alessandro Marrone
Published: 202610.1016/j.jinorgbio.2025.113161
Abstract
Auranofin (AF) is a clinically approved gold(I) metallodrug with recognized anti-inflammatory and anticancer properties, whose mechanism of action relies on the covalent binding at key selenoproteins and thiols causing their irreversible deactivation…
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