The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods-Reference-Cited by-同舟云学术

The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods

Published:2017 Issue:27 Volume:53 Page:3830-3833
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

de Almeida Andreia¹²³⁴,Mósca Andreia F.⁵⁶⁷⁸⁹,Wragg Darren¹²³⁴,Wenzel Margot¹²³⁴,Kavanagh Paul¹⁰¹¹¹²⁴,Barone Giampaolo¹³¹⁴¹⁵¹⁶¹⁷^ORCID,Leoni Stefano¹²³⁴,Soveral Graça⁵⁶⁷⁸⁹,Casini Angela¹²³⁴^ORCID

Affiliation:

1. School of Chemistry

2. Cardiff University

3. Cardiff CF10 3AT

4. UK

5. Research Institute for Medicines (iMed.ULisboa)

6. Faculty of Pharmacy

7. Universidade de Lisboa

8. 1649-003 Lisboa

9. Portugal

10. School of Chemistry and Chemical Engineering

11. Queen's University Belfast

12. Belfast

13. Dip. di Scienze e Tecnologie Biologiche

14. Chimiche e Farmaceutiche (STEBICEF)

15. Università degli Studi di Palermo

16. Palermo

17. Italy

Abstract

The mechanism of inhibition of water and glycerol permeation via human aquaglyceroporin-3 (AQP3) by gold(iii) complexes has been described, for the first time, using molecular dynamics (MD), combined with density functional theory (DFT) and electrochemical studies.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CC/C7CC00318H

Reference31 articles.

1. G. Soveral , A.Casini and S.Nielsen, Aquaporins in health and disease, CRC Press, Taylor & Francis Group, 2015

2. On the definition, nomenclature and classification of water channel proteins (aquaporins and relatives)

3. Gold compounds as aquaporin inhibitors: new opportunities for therapy and imaging

4. Aquaporins: important but elusive drug targets

5. Challenges and achievements in the therapeutic modulation of aquaporin functionality

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