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

Pub. Date : 2017 Mar 30

PMID : 28304043






3 Functional Relationships(s)
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1 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. Water aquaporin 3 (Gill blood group) Homo sapiens
2 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. Water aquaporin 3 (Gill blood group) Homo sapiens
3 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. Water aquaporin 3 (Gill blood group) Homo sapiens