These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods.
    Author: de Almeida A, Mósca AF, Wragg D, Wenzel M, Kavanagh P, Barone G, Leoni S, Soveral G, Casini A.
    Journal: Chem Commun (Camb); 2017 Mar 30; 53(27):3830-3833. PubMed ID: 28304043.
    Abstract:
    The inhibition of water and glycerol permeation via human aquaglyceroporin-3 (AQP3) by gold(iii) complexes has been studied by stopped-flow spectroscopy and, for the first time, its mechanism has been described using molecular dynamics (MD), combined with density functional theory (DFT) and electrochemical studies. The obtained MD results showed that the most effective gold-based inhibitor, anchored to Cys40 in AQP3, is able to induce shrinkage of pores preventing glycerol and water permeation. Moreover, the good correlation between the affinity of the Au(iii) complex to Cys binding and AQP3 inhibition effects was highlighted, while no influence of the different oxidative character of the complexes could be observed.
    [Abstract] [Full Text] [Related] [New Search]