Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening

Daniela Schuster; Dorota Kowalik; Johannes Kirchmair; Christian Laggner; Patrick Markt; Christel Aebischer-Gumy; Fabian Stroehle; Gabriele Moeller; Gerhard Wolber; Thomas Wilckens; Thierry Langer; Alex Odermatt; Jerzy Adamski

doi:10.1016/j.jsbmb.2011.01.016

Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening

Daniela Schuster, Dorota Kowalik, Johannes Kirchmair, Christian Laggner, Patrick Markt, Christel Aebischer-Gumy, Fabian Stroehle, Gabriele Moeller, Gerhard Wolber, Thomas Wilckens, Thierry Langer, Alex Odermatt, Jerzy Adamski

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	148-161
Number of pages	14
Journal	The Journal of Steroid Biochemistry and Molecular Biology
Volume	125
Issue number	1-2
DOIs	https://doi.org/10.1016/j.jsbmb.2011.01.016
Publication status	Published - May 2011
Externally published	Yes

Funding

D.S. is grateful for a Young Talents Grant and the Erika Cremer Habilitation Program from the University of Innsbruck, Austria, Andre Betz, Philipp Schuster, and Sonja Herdlinger are acknowledged for help with preparing the manuscript. We thank the Swiss National Science Foundation for the Grant No. 31003A-124912 to A.O. A.O. has a Chair in Molecular and Systems Toxicology by the Novartis Research Foundation. We are thankful to Prof. Trevor Penning (University of Pennsylvania, Philadelphia, USA) for providing pET-h3 alpha-HSD2 plasmid, 17 beta-HSD5-stably transfected MCF-7 and HEK293 cell lines and 17 beta-HSD5 antibody. We are grateful to Dr. Josef Messinger (Abbott Products GmbH, Hannover, Germany) for the synthesis of the fluorogenic 17 beta-HSD5 substrate. This study was supported in part by a grant from the German Federal Ministry of Education and Research (BMBF) to the German Center for Diabetes Research (DZD e.V.).

Austrian Fields of Science 2012

301207 Pharmaceutical chemistry

Keywords

Pharmacophore screening
Inhibitor development
Steroid-dependent disease
Androgens
Estrogens
PROSTAGLANDIN-F-SYNTHASE
NONSTEROIDAL ANTIINFLAMMATORY DRUGS
IN-SILICO PHARMACOLOGY
KETO REDUCTASE AKR1C3
11-BETA-HYDROXYSTEROID DEHYDROGENASES
20-ALPHA-HYDROXYSTEROID DEHYDROGENASE
4-HYDROXYPHENYL KETONES
BIOCHEMICAL EVALUATION
CRYSTAL-STRUCTURES
DISCOVERY

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10.1016/j.jsbmb.2011.01.016

Cite this

Schuster, D., Kowalik, D., Kirchmair, J., Laggner, C., Markt, P., Aebischer-Gumy, C., Stroehle, F., Moeller, G., Wolber, G., Wilckens, T., Langer, T., Odermatt, A., & Adamski, J. (2011). Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening. The Journal of Steroid Biochemistry and Molecular Biology, 125(1-2), 148-161. https://doi.org/10.1016/j.jsbmb.2011.01.016

@article{f458b29248cd4aaca31a2afb80170a32,

title = "Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening",

keywords = "Pharmacophore screening, Inhibitor development, Steroid-dependent disease, Androgens, Estrogens, PROSTAGLANDIN-F-SYNTHASE, NONSTEROIDAL ANTIINFLAMMATORY DRUGS, IN-SILICO PHARMACOLOGY, KETO REDUCTASE AKR1C3, 11-BETA-HYDROXYSTEROID DEHYDROGENASES, 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE, 4-HYDROXYPHENYL KETONES, BIOCHEMICAL EVALUATION, CRYSTAL-STRUCTURES, DISCOVERY",

author = "Daniela Schuster and Dorota Kowalik and Johannes Kirchmair and Christian Laggner and Patrick Markt and Christel Aebischer-Gumy and Fabian Stroehle and Gabriele Moeller and Gerhard Wolber and Thomas Wilckens and Thierry Langer and Alex Odermatt and Jerzy Adamski",

year = "2011",

month = may,

doi = "10.1016/j.jsbmb.2011.01.016",

language = "English",

volume = "125",

pages = "148--161",

journal = "The Journal of Steroid Biochemistry and Molecular Biology",

issn = "0960-0760",

publisher = "Pergamon",

number = "1-2",

}

Schuster, D, Kowalik, D, Kirchmair, J, Laggner, C, Markt, P, Aebischer-Gumy, C, Stroehle, F, Moeller, G, Wolber, G, Wilckens, T, Langer, T, Odermatt, A & Adamski, J 2011, 'Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening', The Journal of Steroid Biochemistry and Molecular Biology, vol. 125, no. 1-2, pp. 148-161. https://doi.org/10.1016/j.jsbmb.2011.01.016

Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening. / Schuster, Daniela; Kowalik, Dorota; Kirchmair, Johannes et al.
In: The Journal of Steroid Biochemistry and Molecular Biology, Vol. 125, No. 1-2, 05.2011, p. 148-161.

Publications: Contribution to journal › Article › Peer Reviewed

TY - JOUR

T1 - Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening

AU - Schuster, Daniela

AU - Kowalik, Dorota

AU - Kirchmair, Johannes

AU - Laggner, Christian

AU - Markt, Patrick

AU - Aebischer-Gumy, Christel

AU - Stroehle, Fabian

AU - Moeller, Gabriele

AU - Wolber, Gerhard

AU - Wilckens, Thomas

AU - Langer, Thierry

AU - Odermatt, Alex

AU - Adamski, Jerzy

PY - 2011/5

Y1 - 2011/5

KW - Pharmacophore screening

KW - Inhibitor development

KW - Steroid-dependent disease

KW - Androgens

KW - Estrogens

KW - PROSTAGLANDIN-F-SYNTHASE

KW - NONSTEROIDAL ANTIINFLAMMATORY DRUGS

KW - IN-SILICO PHARMACOLOGY

KW - KETO REDUCTASE AKR1C3

KW - 11-BETA-HYDROXYSTEROID DEHYDROGENASES

KW - 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE

KW - 4-HYDROXYPHENYL KETONES

KW - BIOCHEMICAL EVALUATION

KW - CRYSTAL-STRUCTURES

KW - DISCOVERY

U2 - 10.1016/j.jsbmb.2011.01.016

DO - 10.1016/j.jsbmb.2011.01.016

M3 - Article

SN - 0960-0760

VL - 125

SP - 148

EP - 161

JO - The Journal of Steroid Biochemistry and Molecular Biology

JF - The Journal of Steroid Biochemistry and Molecular Biology

IS - 1-2

ER -

Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening

Funding

Austrian Fields of Science 2012

Keywords

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