Mechanistic insights into Au( <scp>i</scp> )(NHC)Cl targeting of the HIV-NCp7 zinc finger <i>via</i> metadynamics simulations
Stepwise mechanism of [Au( i )NHC] + with HIV-NCp7 C-terminal ZF. The complex induces a proton transfer triggering the transmetallation, inhibiting activity.
Authors
- Camilla Abbehausen (ORCID: https://orcid.org/0000-0002-8410-2252)
- Stefano Leoni (ORCID: https://orcid.org/0000-0003-4078-1000)
- Gustavo Rodrigues (ORCID: https://orcid.org/0000-0001-8388-3600)
Institutions
- Universidade Estadual de Campinas (UNICAMP) (BR)
- Cardiff University (GB)
Publication Details
- Journal
- Inorganic Chemistry Frontiers
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5qi01601k
- Primary Topic
- HIV Research and Treatment
- Type
- article
- Field-Weighted Citation Impact
- 0.00