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Multiscale molecular dynamics simulations of lipid interactions with P-glycoprotein in a complex membrane.

Abstract:

P-glycoprotein (P-gp) can transport a wide range of very different hydrophobic organic molecules across the membrane. Its ability to extrude molecules from the cell creates delivery problems for drugs that target proteins in the central nervous system (CNS) and also causes drug-resistance in many forms of cancer. Whether a drug will be susceptible to export by P-gp is difficult to predict and currently this is usually assessed with empirical and/or animal models. Thus, there is a need to bett...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1016/j.jmgm.2017.09.002

Authors


More by this author
Institution:
University of Oxford
Division:
Medical Sciences Division
Department:
Biochemistry
More by this author
Institution:
University of Oxford
Division:
Medical Sciences Division
Department:
Biochemistry
More by this author
Institution:
University of Oxford
Division:
Medical Sciences Division
Department:
Biochemistry
Oxford college:
Lady Margaret Hall
More from this funder
Funding agency for:
Domicevica, L
Publisher:
Elsevier Publisher's website
Journal:
Journal of Molecular Graphics & Modelling Journal website
Volume:
77
Pages:
250-258
Publication date:
2017-09-02
Acceptance date:
2017-09-01
DOI:
EISSN:
1873-4243
ISSN:
1093-3263
Pubs id:
pubs:730129
URN:
uri:b7138f5f-6d73-4b6e-9d8a-e6dbf06d4616
UUID:
uuid:b7138f5f-6d73-4b6e-9d8a-e6dbf06d4616
Local pid:
pubs:730129

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