Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein

Subramanian, Nandhitha, Condic-Jurkic, Karmen and O'Mara, Megan L. (2016) Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein. Neurochemistry International, 98 146-152. doi:10.1016/j.neuint.2016.05.005

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Author Subramanian, Nandhitha
Condic-Jurkic, Karmen
O'Mara, Megan L.
Title Structural and dynamic perspectives on the promiscuous transport activity of P-glycoprotein
Journal name Neurochemistry International   Check publisher's open access policy
ISSN 0197-0186
1872-9754
Publication date 2016-05-11
Year available 2016
Sub-type Article (original research)
DOI 10.1016/j.neuint.2016.05.005
Open Access Status File (Author Post-print)
Volume 98
Start page 146
End page 152
Total pages 22
Place of publication London, United Kingdom
Publisher Elsevier
Language eng
Subject 2804 Cellular and Molecular Neuroscience
1307 Cell Biology
Abstract The multidrug transporter P-glycoprotein (P-gp) is expressed in the blood-brain barrier endothelium where it effluxes a range of drug substrates, preventing their accumulation within the brain. P-gp has been studied extensively for 40 years because of its crucial role in the absorption, distribution, metabolism and elimination of a range of pharmaceutical compounds. Despite this, many aspects of the structure-function mechanism of P-gp are unresolved. Here we review the emerging role of molecular dynamics simulation techniques in our understanding of the membrane-embedded conformation of P-gp. We discuss its conformational plasticity in the presence and absence of ATP, and recent efforts to characterize the drug binding sites and uptake pathways. (C) 2016 Elsevier Ltd. All rights reserved.
Keyword ABC (ATP-binding cassette) transporter
Molecular dynamics simulation
Multidrug transporter
P-glycoprotein
Substrate transport
Q-Index Code C1
Q-Index Status Provisional Code
Grant ID DP110100327
APP1049685
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: HERDC Pre-Audit
School of Chemistry and Molecular Biosciences
 
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Created: Fri, 20 May 2016, 23:48:39 EST by Mrs Louise Nimwegen on behalf of School of Chemistry & Molecular Biosciences