Computational Studies of Au(I) and Au(III) Anticancer MetalLodrugs: A Survey.

ABSTRACT: Owing to the growing hardware capabilities and the enhancing efficacy of computational methodologies, computational chemistry approaches have constantly become more important in the development of novel anticancer metallodrugs. Besides traditional Pt-based drugs, inorganic and organometallic complexes of other transition metals are showing increasing potential in the treatment of cancer. Among them, Au(I)- and Au(III)-based compounds are promising candidates due to the strong affinity of Au(I) cations to cysteine and selenocysteine side chains of the protein residues and to Au(III) complexes being more labile and prone to the reduction to either Au(I) or Au(0) in the physiological milieu. A correct prediction of metal complexes' properties and of their bonding interactions with potential l

SUBMITTER: Tolbatov I 

PROVIDER: S-EPMC8707411 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature