A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT

Research output: Contribution to journal › Journal article › Research › peer-review

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A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT. / Simmons, Katie J; Gotfryd, Kamil; Billesbølle, Christian B; Loland, Claus J; Gether, Ulrik; Fishwick, Colin W G; Johnson, A Peter.

In: Molecular Membrane Biology, Vol. 30, No. 2, 03.2013, p. 184-94.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Simmons, KJ, Gotfryd, K, Billesbølle, CB, Loland, CJ, Gether, U, Fishwick, CWG & Johnson, AP 2013, 'A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT', Molecular Membrane Biology, vol. 30, no. 2, pp. 184-94. https://doi.org/10.3109/09687688.2012.710341

APA

Simmons, K. J., Gotfryd, K., Billesbølle, C. B., Loland, C. J., Gether, U., Fishwick, C. W. G., & Johnson, A. P. (2013). A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT. Molecular Membrane Biology, 30(2), 184-94. https://doi.org/10.3109/09687688.2012.710341

Vancouver

Simmons KJ, Gotfryd K, Billesbølle CB, Loland CJ, Gether U, Fishwick CWG et al. A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT. Molecular Membrane Biology. 2013 Mar;30(2):184-94. https://doi.org/10.3109/09687688.2012.710341

Author

Simmons, Katie J ; Gotfryd, Kamil ; Billesbølle, Christian B ; Loland, Claus J ; Gether, Ulrik ; Fishwick, Colin W G ; Johnson, A Peter. / A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT. In: Molecular Membrane Biology. 2013 ; Vol. 30, No. 2. pp. 184-94.

Bibtex

@article{3102fb415c104be4bb487a56d7fcc119,
title = "A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT",
abstract = "Abstract Membrane proteins are intrinsically involved in both human and pathogen physiology, and are the target of 60% of all marketed drugs. During the past decade, advances in the studies of membrane proteins using X-ray crystallography, electron microscopy and NMR-based techniques led to the elucidation of over 250 unique membrane protein crystal structures. The aim of the European Drug Initiative for Channels and Transporter (EDICT) project is to use the structures of clinically significant membrane proteins for the development of lead molecules. One of the approaches used to achieve this is a virtual high-throughput screening (vHTS) technique initially developed for soluble proteins. This paper describes application of this technique to the discovery of inhibitors of the leucine transporter (LeuT), a member of the neurotransmitter:sodium symporter (NSS) family.",
author = "Simmons, {Katie J} and Kamil Gotfryd and Billesb{\o}lle, {Christian B} and Loland, {Claus J} and Ulrik Gether and Fishwick, {Colin W G} and Johnson, {A Peter}",
year = "2013",
month = mar,
doi = "10.3109/09687688.2012.710341",
language = "English",
volume = "30",
pages = "184--94",
journal = "Membrane Biochemistry",
issn = "0968-7688",
publisher = "Taylor & Francis",
number = "2",

}

RIS

TY - JOUR

T1 - A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT

AU - Simmons, Katie J

AU - Gotfryd, Kamil

AU - Billesbølle, Christian B

AU - Loland, Claus J

AU - Gether, Ulrik

AU - Fishwick, Colin W G

AU - Johnson, A Peter

PY - 2013/3

Y1 - 2013/3

N2 - Abstract Membrane proteins are intrinsically involved in both human and pathogen physiology, and are the target of 60% of all marketed drugs. During the past decade, advances in the studies of membrane proteins using X-ray crystallography, electron microscopy and NMR-based techniques led to the elucidation of over 250 unique membrane protein crystal structures. The aim of the European Drug Initiative for Channels and Transporter (EDICT) project is to use the structures of clinically significant membrane proteins for the development of lead molecules. One of the approaches used to achieve this is a virtual high-throughput screening (vHTS) technique initially developed for soluble proteins. This paper describes application of this technique to the discovery of inhibitors of the leucine transporter (LeuT), a member of the neurotransmitter:sodium symporter (NSS) family.

AB - Abstract Membrane proteins are intrinsically involved in both human and pathogen physiology, and are the target of 60% of all marketed drugs. During the past decade, advances in the studies of membrane proteins using X-ray crystallography, electron microscopy and NMR-based techniques led to the elucidation of over 250 unique membrane protein crystal structures. The aim of the European Drug Initiative for Channels and Transporter (EDICT) project is to use the structures of clinically significant membrane proteins for the development of lead molecules. One of the approaches used to achieve this is a virtual high-throughput screening (vHTS) technique initially developed for soluble proteins. This paper describes application of this technique to the discovery of inhibitors of the leucine transporter (LeuT), a member of the neurotransmitter:sodium symporter (NSS) family.

U2 - 10.3109/09687688.2012.710341

DO - 10.3109/09687688.2012.710341

M3 - Journal article

C2 - 22908980

VL - 30

SP - 184

EP - 194

JO - Membrane Biochemistry

JF - Membrane Biochemistry

SN - 0968-7688

IS - 2

ER -

ID: 40371176