Ontology highlight
ABSTRACT:
SUBMITTER: Tolbatov I
PROVIDER: S-EPMC6412330 | biostudies-literature | 2019 Feb
REPOSITORIES: biostudies-literature
International journal of molecular sciences 20190214 4
Neutral N⁻heterocyclic carbene gold(I) compounds such as IMeAuCl are widely used both in homogeneous catalysis and, more recently, in medicinal chemistry as promising antitumor agents. In order to shed light on their reactivity with protein side chains, we have carried out density functional theory (DFT) calculations on the thermodynamics and kinetics of their reactions with water and various nucleophiles as a model of plausible protein binding sites such as arginine, aspartic acid, asparagine, ...[more]