Ruth Brenk

Ruth Brenk

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Ruth Brenk

Ruth Brenk

Publications by authors named "Ruth Brenk"

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How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using -Myristoyltransferases as a Model System.

J Med Chem 2020 Mar 19;63(5):2095-2113. Epub 2019 Aug 19.

Department of Biomedicine, University of Bergen, Jonas Lies vei 91, 5020 Bergen, Norway.

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http://dx.doi.org/10.1021/acs.jmedchem.9b00586DOI Listing
March 2020

Targeting the Class A Carbapenemase GES-5 via Virtual Screening.

Biomolecules 2020 Feb 14;10(2). Epub 2020 Feb 14.

Department of Biomedicine, University of Bergen, Jonas Lies Vei 91, 5020 Bergen, Norway.

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http://dx.doi.org/10.3390/biom10020304DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7072645PMC
February 2020

A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.

J Med Chem 2018 09 12;61(18):8374-8389. Epub 2018 Sep 12.

Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, School of Life Sciences , University of Dundee , Dundee , DD1 5EH , United Kingdom.

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http://dx.doi.org/10.1021/acs.jmedchem.8b00884DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6167002PMC
September 2018

Ligand design for riboswitches, an emerging target class for novel antibiotics.

Future Med Chem 2017 09 19;9(14):1649-1663. Epub 2017 Sep 19.

Department of Biomedicine, University of Bergen, Jonas Lies vei 91, 5020 Bergen, Norway.

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http://dx.doi.org/10.4155/fmc-2017-0063DOI Listing
September 2017

To Hit or Not to Hit, That Is the Question - Genome-wide Structure-Based Druggability Predictions for Pseudomonas aeruginosa Proteins.

PLoS One 2015 11;10(9):e0137279. Epub 2015 Sep 11.

Division of Biological Chemistry & Drug Discovery, College of Life Sciences, University of Dundee, Dow Street, Dundee, United Kingdom; Institut für Pharmazie und Biochemie, Johannes Gutenberg-Universität Mainz, Mainz, Germany; University of Bergen, Department for Biomedicine, Bergen, Norway.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0137279PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4567284PMC
May 2016

Cytotoxicity of cardiotonic steroids in sensitive and multidrug-resistant leukemia cells and the link with Na(+)/K(+)-ATPase.

J Steroid Biochem Mol Biol 2015 Jun 19;150:97-111. Epub 2015 Mar 19.

Department of Pharmaceutical Biology, Institute of Pharmacy and Biochemistry, Johannes Gutenberg University, Mainz, Germany. Electronic address:

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http://dx.doi.org/10.1016/j.jsbmb.2015.03.008DOI Listing
June 2015

Quantitative structure-activity relationship and molecular docking of artemisinin derivatives to vascular endothelial growth factor receptor 1.

Anticancer Res 2015 Apr;35(4):1929-34

Department of Pharmaceutical Biology, Institute of Pharmacy and Biochemistry, Johannes Gutenberg University, Mainz, Germany

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April 2015

The design and synthesis of potent and selective inhibitors of Trypanosoma brucei glycogen synthase kinase 3 for the treatment of human african trypanosomiasis.

J Med Chem 2014 Sep 8;57(18):7536-49. Epub 2014 Sep 8.

Drug Discovery Unit, College of Life Sciences, University of Dundee , Sir James Black Centre, Dow Street, Dundee DD1 5EH, U.K.

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http://dx.doi.org/10.1021/jm500239bDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4175002PMC
September 2014

Structure-based virtual screening for the identification of RNA-binding ligands.

Methods Mol Biol 2014 ;1103:127-39

Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee, UK.

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http://dx.doi.org/10.1007/978-1-62703-730-3_10DOI Listing
July 2014

Increasing the coverage of medicinal chemistry-relevant space in commercial fragments screening.

J Chem Inf Model 2014 Jan 9;54(1):79-85. Epub 2014 Jan 9.

Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research , 15 Cotswold Road, Sutton, Surrey SM2 5NG, United Kingdom.

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http://dx.doi.org/10.1021/ci400632yDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3904764PMC
January 2014

From on-target to off-target activity: identification and optimisation of Trypanosoma brucei GSK3 inhibitors and their characterisation as anti-Trypanosoma brucei drug discovery lead molecules.

ChemMedChem 2013 Jul 14;8(7):1127-37. Epub 2013 Jun 14.

Drug Discovery Unit (DDU), Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Sir James Black Centre, DD1 5EH, UK.

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http://dx.doi.org/10.1002/cmdc.201300072DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3728731PMC
July 2013

De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments.

ACS Chem Biol 2013 May 27;8(5):1044-52. Epub 2013 Mar 27.

Drug Discovery Unit (DDU), Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Sir James Black Centre, DD1 5EH, UK.

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http://pubs.acs.org/doi/10.1021/cb300729y
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http://dx.doi.org/10.1021/cb300729yDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3833278PMC
May 2013

Locating sweet spots for screening hits and evaluating pan-assay interference filters from the performance analysis of two lead-like libraries.

J Chem Inf Model 2013 Mar 4;53(3):534-44. Epub 2013 Mar 4.

Drug Discovery Unit, Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee , Dow Street, Dundee DD1 5EH, U.K.

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http://dx.doi.org/10.1021/ci300382fDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3739413PMC
March 2013

IspE inhibitors identified by a combination of in silico and in vitro high-throughput screening.

PLoS One 2012 25;7(4):e35792. Epub 2012 Apr 25.

Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee, United Kingdom.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0035792PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3340893PMC
September 2012

Change or be changed: reflections of the workshop 'Future in Medicinal Chemistry'.

Bioorg Med Chem 2012 Jun 25;20(12):3695-7. Epub 2012 Apr 25.

Biological Chemistry and Drug Discovery, College of Life Sciences University of Dundee, Dow St., Dundee DD1 5EH, UK.

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http://dx.doi.org/10.1016/j.bmc.2012.04.038DOI Listing
June 2012

Identification of inhibitors of the Leishmania cdc2-related protein kinase CRK3.

ChemMedChem 2011 Dec 13;6(12):2214-24. Epub 2011 Sep 13.

Drug Discovery Unit, College of Life Sciences, James Black Centre, University of Dundee, Dundee, DD1 5EH, UK.

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http://dx.doi.org/10.1002/cmdc.201100344DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3272345PMC
December 2011

DrugPred: a structure-based approach to predict protein druggability developed using an extensive nonredundant data set.

J Chem Inf Model 2011 Nov 13;51(11):2829-42. Epub 2011 Oct 13.

College of Life Sciences, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dow St, Dundee DD1 5EH, UK.

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https://pubs.acs.org/doi/10.1021/ci200266d
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http://dx.doi.org/10.1021/ci200266dDOI Listing
November 2011

Optimisation of the anti-Trypanosoma brucei activity of the opioid agonist U50488.

ChemMedChem 2011 Oct 10;6(10):1832-40. Epub 2011 Aug 10.

Drug Discovery Unit, College of Life Sciences, James Black Centre, University of Dundee, Dundee, DD1 5EH, Scotland, UK.

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http://dx.doi.org/10.1002/cmdc.201100278DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3229842PMC
October 2011

Probing the dynamic nature of water molecules and their influences on ligand binding in a model binding site.

J Chem Inf Model 2011 Oct 15;51(10):2581-94. Epub 2011 Sep 15.

Institute of Pharmacy and Food Chemistry, Julius-Maximilians University Würzburg, Am Hubland, D-97074 Würzburg, Germany.

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http://dx.doi.org/10.1021/ci200052jDOI Listing
October 2011

Mining the ChEMBL database: an efficient chemoinformatics workflow for assembling an ion channel-focused screening library.

Authors:
N Yi Mok Ruth Brenk

J Chem Inf Model 2011 Oct 6;51(10):2449-54. Epub 2011 Oct 6.

Drug Discovery Unit, College of Life Sciences, Sir James Black Centre, University of Dundee, Dundee DD1 5EH, UK.

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http://pubs.acs.org/doi/abs/10.1021/ci200260t
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http://dx.doi.org/10.1021/ci200260tDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200031PMC
October 2011

Novel ligands for a purine riboswitch discovered by RNA-ligand docking.

Chem Biol 2011 Mar;18(3):324-35

Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dow Street, Dundee DD1 5EH, UK.

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http://dx.doi.org/10.1016/j.chembiol.2010.12.020DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3119931PMC
March 2011

Design, synthesis and biological evaluation of novel inhibitors of Trypanosoma brucei pteridine reductase 1.

ChemMedChem 2011 Feb 29;6(2):302-8. Epub 2010 Dec 29.

Drug Discovery Unit, Division of Biological Chemistry & Drug Discovery, College of Life Sciences, University of Dundee, Sir James Black Centre, Dundee, Scotland, DD1 5EH, UK.

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http://dx.doi.org/10.1002/cmdc.201000450DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3047710PMC
February 2011

Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase.

Bioorg Med Chem 2010 Jul 9;18(14):5056-62. Epub 2010 Jun 9.

Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Sir James Black Centre, Dundee DD1 5EH, UK.

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http://dx.doi.org/10.1016/j.bmc.2010.05.077DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2939770PMC
July 2010

Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry.

Nat Chem 2010 Jun 16;2(6):490-7. Epub 2010 May 16.

EastChem, School of Chemistry, University of Edinburgh, King's Buildings, West Mains Road, Edinburgh EH9 3JJ, UK.

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http://dx.doi.org/10.1038/nchem.658DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2913121PMC
June 2010

A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy.

J Med Chem 2009 Apr;52(8):2531-42

Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dow Street, Dundee, DD1 5EH, Scotland, United Kingdom.

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http://dx.doi.org/10.1021/jm801475nDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2669732PMC
April 2009

Nucleosomes can invade DNA territories occupied by their neighbors.

Nat Struct Mol Biol 2009 Feb 1;16(2):151-8. Epub 2009 Feb 1.

Wellcome Trust Centre for Gene Regulation and Expression, University of Dundee, Dundee, DD1 5EH, UK.

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http://www.nature.com/articles/nsmb.1551
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http://dx.doi.org/10.1038/nsmb.1551DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2675935PMC
February 2009

The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.

Org Biomol Chem 2008 Jun 21;6(12):2076-84. Epub 2008 Apr 21.

School of Chemistry and the Centre for Biomolecular Sciences, University of St Andrews, North Haugh, St Andrews, Fife, UK.

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http://dx.doi.org/10.1039/b801223gDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3758137PMC
June 2008

Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding.

J Mol Biol 2007 Jul 12;370(3):492-511. Epub 2007 Apr 12.

Institut für Pharmazeutische Chemie, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany.

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http://dx.doi.org/10.1016/j.jmb.2007.04.008DOI Listing
July 2007

Identification of novel inhibitors of UDP-Glc 4'-epimerase, a validated drug target for african sleeping sickness.

Bioorg Med Chem Lett 2006 Nov 7;16(22):5744-7. Epub 2006 Sep 7.

Division of Biological Chemistry and Molecular Microbiology, School of Life Sciences, University of Dundee, Dundee DD1 5EH, Scotland, UK.

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http://dx.doi.org/10.1016/j.bmcl.2006.08.091DOI Listing
November 2006

Probing molecular docking in a charged model binding site.

J Mol Biol 2006 Apr 2;357(5):1449-70. Epub 2006 Feb 2.

University of California San Francisco, QB3 Building, Department of Pharmaceutical Chemistry, 1700 4th Street, San Francisco, CA 94143-2550, USA.

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http://www.goodinlab.com/pdf/2006%20Brenk,%20Goodin,%20Shoic
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http://linkinghub.elsevier.com/retrieve/pii/S002228360600062
Publisher Site
http://dx.doi.org/10.1016/j.jmb.2006.01.034DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3025978PMC
April 2006

Design, synthesis, and biological evaluation of 3,4-diarylmaleimides as angiogenesis inhibitors.

J Med Chem 2006 Feb;49(4):1271-81

Department of Pharmacy, Johannes Gutenberg-University, Staudingerweg 5, D-55099 Mainz, Germany.

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http://dx.doi.org/10.1021/jm0580297DOI Listing
February 2006

Here be dragons: docking and screening in an uncharted region of chemical space.

J Biomol Screen 2005 Oct 16;10(7):667-74. Epub 2005 Sep 16.

University of California, San Francisco, Department of Pharmaceutical Chemistry, 1700 4th Street, San Francisco, CA 94143-2550, USA.

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http://dx.doi.org/10.1177/1087057105281047DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1532927PMC
October 2005

Decoys for docking.

J Med Chem 2005 Jun;48(11):3714-28

Department of Pharmaceutical Chemistry, University of California San Francisco, 1700 4th Street, San Francisco, California 94143-2550, USA.

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http://dx.doi.org/10.1021/jm0491187DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1557646PMC
June 2005

Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis.

J Med Chem 2003 Mar;46(7):1133-43

Institut für Pharmazeutische Chemie, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany.

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http://dx.doi.org/10.1021/jm0209937DOI Listing
March 2003