Composing compound libraries for hit discovery--rationality-driven preselection or random choice by structural diversity? (Q35532349)

8 August 2017

title

Composing compound libraries for hit discovery--rationality-driven preselection or random choice by structural diversity? (English)

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8 August 2017

Elisabeth Weidel

1

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8 August 2017

Matthias Negri

2

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8 August 2017

Martin Empting

3

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8 August 2017

Stefan Hinsberger

4

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8 August 2017

Rolf W Hartmann

5

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8 August 2017

publication date

1 January 2014

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Future Medicinal Chemistry

8 August 2017

published in

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8 August 2017

volume

6

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8 August 2017

issue

18

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8 August 2017

page(s)

2057-2072

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Antibacterial resistance worldwide: causes, challenges and responses

8 August 2017

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Antibacterials: are the new entries enough to deal with the emerging resistance problems?

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Antibiotics for emerging pathogens

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Fragment screening by surface plasmon resonance

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Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?

21 January 2018

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Integration of fragment screening and library design

21 January 2018

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Novel trends in high-throughput screening

21 January 2018

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Diversity screening versus focussed screening in drug discovery

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Virtual screening—an overview

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Lead generation using pharmacophore mapping and three-dimensional database searching: application to muscarinic M(3) receptor antagonists

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Bad bugs, no drugs: no ESKAPE! An update from the Infectious Diseases Society of America

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Validation of PqsD as an anti-biofilm target in Pseudomonas aeruginosa by development of small-molecule inhibitors

21 January 2018

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Synthesis and biological evaluation of novel sulfonyl-naphthalene-1,4-diols as FabH inhibitors

21 January 2018

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First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling

21 January 2018

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Identification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabH

21 January 2018

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Biphenyl-based analogues of thiolactomycin, active against Mycobacterium tuberculosis mtFabH fatty acid condensing enzyme

21 January 2018

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Structure-activity relationships at the 5-position of thiolactomycin: an intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli

21 January 2018

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Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents

21 January 2018

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Structure of PqsD, a Pseudomonas Quinolone Signal Biosynthetic Enzyme, in Complex with Anthranilate

21 January 2018

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Structure optimization of 2-benzamidobenzoic acids as PqsD inhibitors for Pseudomonas aeruginosa infections and elucidation of binding mode by SPR, STD NMR, and molecular docking

21 January 2018

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Biochemical and biophysical analysis of a chiral PqsD inhibitor revealing tight-binding behavior and enantiomers with contrary thermodynamic signatures

21 January 2018

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The 1.8 A crystal structure and active-site architecture of beta-ketoacyl-acyl carrier protein synthase III (FabH) from escherichia coli

21 January 2018

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Catalytic enzyme activity on a biosensor chip: combination of surface plasmon resonance and mass spectrometry.

21 January 2018

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A Simple Statistical Parameter for Use in Evaluation and Validation of High Throughput Screening Assays

21 January 2018

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Development and validation of a genetic algorithm for flexible docking

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.142

Improved protein-ligand docking using GOLD

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.142

Fragment-based screening using surface plasmon resonance technology

21 January 2018

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Fragment-based lead discovery

21 January 2018

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Pseudomonas aeruginosa directly shunts β-oxidation degradation intermediates into de novo fatty acid biosynthesis

21 January 2018

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Fatty acid biosynthesis in Pseudomonas aeruginosa is initiated by the FabY class of β-ketoacyl acyl carrier protein synthases

21 January 2018

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Scaffold composition and biological relevance of screening libraries.

21 January 2018

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Molecular complexity and its impact on the probability of finding leads for drug discovery

21 January 2018

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Ligand efficiency: a useful metric for lead selection

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.142

Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity

21 January 2018

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Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.14.142

Combining in silico and biophysical methods for the development of Pseudomonas aeruginosa quorum sensing inhibitors: an alternative approach for structure-based drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.14.142

Biosynthesis of 2-Alkyl-4(1H)-Quinolones in Pseudomonas aeruginosa: Potential for Therapeutic Interference with Pathogenicity

21 January 2018

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9 March 2024

https://opencitations.net/index/api/v1/citations/10.1002/CBIC.201100014

Identifiers

DOI

10.4155/FMC.14.142

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8 August 2017

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