A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

M.P.A. Sanders, L. Roumen, E. van der Horst, J.R. Lane, H.F. Vischer, J. van Offenbeek, H. de Vries, S. Verhoeven, K.Y. Show, F. Verkaar, M.W. Beukers, R McGuire, R. Leurs, A.P. IJzerman, J de Vlieg, I.J.P. de Esch, G.J. Zaman, J.P.G Klomp, A. Bender, C. de Graaf

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A
Original languageEnglish
Pages (from-to)455-464
JournalJournal of Medicinal Chemistry
Volume8
DOIs
Publication statusPublished - 2012

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CCR10 Receptors
Digital Libraries
G-Protein-Coupled Receptors
Adenosine
Ligands
Proteins

Cite this

Sanders, M.P.A. ; Roumen, L. ; van der Horst, E. ; Lane, J.R. ; Vischer, H.F. ; van Offenbeek, J. ; de Vries, H. ; Verhoeven, S. ; Show, K.Y. ; Verkaar, F. ; Beukers, M.W. ; McGuire, R ; Leurs, R. ; IJzerman, A.P. ; de Vlieg, J ; de Esch, I.J.P. ; Zaman, G.J. ; Klomp, J.P.G ; Bender, A. ; de Graaf, C. / A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design. In: Journal of Medicinal Chemistry. 2012 ; Vol. 8. pp. 455-464.
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title = "A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design",
abstract = "We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A",
author = "M.P.A. Sanders and L. Roumen and {van der Horst}, E. and J.R. Lane and H.F. Vischer and {van Offenbeek}, J. and {de Vries}, H. and S. Verhoeven and K.Y. Show and F. Verkaar and M.W. Beukers and R McGuire and R. Leurs and A.P. IJzerman and {de Vlieg}, J and {de Esch}, I.J.P. and G.J. Zaman and J.P.G Klomp and A. Bender and {de Graaf}, C.",
year = "2012",
doi = "10.1021/jm300280e",
language = "English",
volume = "8",
pages = "455--464",
journal = "Journal of Medicinal Chemistry",
issn = "0022-2623",
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Sanders, MPA, Roumen, L, van der Horst, E, Lane, JR, Vischer, HF, van Offenbeek, J, de Vries, H, Verhoeven, S, Show, KY, Verkaar, F, Beukers, MW, McGuire, R, Leurs, R, IJzerman, AP, de Vlieg, J, de Esch, IJP, Zaman, GJ, Klomp, JPG, Bender, A & de Graaf, C 2012, 'A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design' Journal of Medicinal Chemistry, vol. 8, pp. 455-464. https://doi.org/10.1021/jm300280e

A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design. / Sanders, M.P.A.; Roumen, L.; van der Horst, E.; Lane, J.R.; Vischer, H.F.; van Offenbeek, J.; de Vries, H.; Verhoeven, S.; Show, K.Y.; Verkaar, F.; Beukers, M.W.; McGuire, R; Leurs, R.; IJzerman, A.P.; de Vlieg, J; de Esch, I.J.P.; Zaman, G.J.; Klomp, J.P.G; Bender, A.; de Graaf, C.

In: Journal of Medicinal Chemistry, Vol. 8, 2012, p. 455-464.

Research output: Contribution to JournalArticleAcademicpeer-review

TY - JOUR

T1 - A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

AU - Sanders, M.P.A.

AU - Roumen, L.

AU - van der Horst, E.

AU - Lane, J.R.

AU - Vischer, H.F.

AU - van Offenbeek, J.

AU - de Vries, H.

AU - Verhoeven, S.

AU - Show, K.Y.

AU - Verkaar, F.

AU - Beukers, M.W.

AU - McGuire, R

AU - Leurs, R.

AU - IJzerman, A.P.

AU - de Vlieg, J

AU - de Esch, I.J.P.

AU - Zaman, G.J.

AU - Klomp, J.P.G

AU - Bender, A.

AU - de Graaf, C.

PY - 2012

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N2 - We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A

AB - We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A

U2 - 10.1021/jm300280e

DO - 10.1021/jm300280e

M3 - Article

VL - 8

SP - 455

EP - 464

JO - Journal of Medicinal Chemistry

JF - Journal of Medicinal Chemistry

SN - 0022-2623

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