Mechanism of Action of Antitumor Au(I) N-Heterocyclic Carbene Complexes: A Computational Insight on the Targeting of TrxR Selenocysteine

Mechanism of Action of Antitumor Au(I) N-Heterocyclic Carbene Complexes: A Computational Insight on the Targeting of TrxR Selenocysteine

The targeting of human thioredoxin reductase is widely recognized to be crucially involved in the anticancer properties of several metallodrugs, including Au(I) complexes. In this study, the mechanism of reaction between a set of five N-heterocyclic carbene Au(I) complexes and models of the active S...

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Bibliographic Details
Main Authors:	Iogann Tolbatov, Paolo Umari, Alessandro Marrone
Format:	Article
Language:	English
Published:	MDPI AG 2024-02-01
Series:	International Journal of Molecular Sciences
Subjects:	anticancer metallodrugs N-heterocyclic carbenes gold(I) complexes DFT calculations proteins thioredoxin reductase TrxR
Online Access:	https://www.mdpi.com/1422-0067/25/5/2625

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