(Q34454041)

2 August 2017

title

Significance estimation for sequence-based chemical similarity searching (PhAST) and application to AuroraA kinase inhibitors (English)

1 reference

2 August 2017

4

Gisbert Schneider

1 reference

2 August 2017

Volker Hähnke

1

1 reference

2 August 2017

Nickolay Todoroff

series ordinal

2

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2 August 2017

Tiago Rodrigues

series ordinal

3

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2 August 2017

publication date

1 October 2012

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Future Medicinal Chemistry

2 August 2017

published in

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2 August 2017

volume

4

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2 August 2017

issue

15

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2 August 2017

page(s)

1897-1906

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Virtual and biomolecular screening converge on a selective agonist for GPR30.

2 August 2017

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Identification of natural-product-derived inhibitors of 5-lipoxygenase activity by ligand-based virtual screening

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Rational ligand-based virtual screening and structure-activity relationship studies in the ligand-binding domain of the glucocorticoid receptor-α.

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Elaborate ligand-based modeling reveals new nanomolar heat shock protein 90α inhibitors.

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Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists

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Lead identification and optimization of diaminopyrimidines as histamine H4 receptor ligands

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Targeting multifunctional proteins by virtual screening: structurally diverse cytohesin inhibitors with differentiated biological functions

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Potent inhibitors of 5-lipoxygenase identified using pseudoreceptors

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21 January 2018

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Extended-connectivity fingerprints

21 January 2018

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BLASTing small molecules--statistics and extreme statistics of chemical similarity scores

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values

21 January 2018

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PubChem3D: Biologically relevant 3-D similarity

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Relating protein pharmacology by ligand chemistry

21 January 2018

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Off-target networks derived from ligand set similarity

21 January 2018

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Basic local alignment search tool

21 January 2018

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Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

21 January 2018

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PhAST: pharmacophore alignment search tool

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Pharmacophore alignment search tool: Influence of canonical atom labeling on similarity searching

21 January 2018

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Accurate statistics for local sequence alignment with position-dependent scoring by rare-event sampling

21 January 2018

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Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

21 January 2018

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Community benchmarks for virtual screening

21 January 2018

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Virtual screening: an endless staircase?

21 January 2018

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Mitotic kinases as regulators of cell division and its checkpoints

21 January 2018

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Centrosomal kinases, HsAIRK1 and HsAIRK3, are overexpressed in primary colorectal cancers.

21 January 2018

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Genetic instabilities in human cancers

21 January 2018

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Aurora B expression correlates with aggressive behaviour in glioblastoma multiforme

21 January 2018

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Targeting Aurora kinases for the treatment of prostate cancer

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Aurora kinase A messenger RNA overexpression is correlated with tumor progression and shortened survival in head and neck squamous cell carcinoma.

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Expression of Aurora A (but not Aurora B) is predictive of survival in breast cancer

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Functional characterization of BRCA1 sequence variants using a yeast small colony phenotype assay

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Aurora-A Kinase Maintains the Fidelity of Early and Late Mitotic Events in HeLa Cells

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Essential roles of Drosophila inner centromere protein (INCENP) and aurora B in histone H3 phosphorylation, metaphase chromosome alignment, kinetochore disjunction, and chromosome segregation

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Inhibition of Aurora-B function increases formation of multinucleated cells in p53 gene deficient cells and enhances anti-tumor effect of temozolomide in human glioma cells.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Aurora-kinase inhibitors as anticancer agents

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Aurora kinases as anticancer drug targets

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Comparing Aurora A and Aurora B as molecular targets for growth inhibition of pancreatic cancer cells

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

VX-680, a potent and selective small-molecule inhibitor of the Aurora kinases, suppresses tumor growth in vivo

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Multistep virtual screening for rapid and efficient identification of non-nucleoside bacterial thymidine kinase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

A NEW MEASURE OF RANK CORRELATION

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Pharmacophore alignment search tool: influence of the third dimension on text-based similarity searching

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

ChEBI: a database and ontology for chemical entities of biological interest

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Chemical Entities of Biological Interest: an update

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

The challenge of selecting protein kinase assays for lead discovery optimization

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Ligand efficiency: a useful metric for lead selection

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

The art and practice of structure-based drug design: A molecular modeling perspective

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

Probing the bioactivity-relevant chemical space of robust reactions and common molecular building blocks

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.12.148

DOGS: reaction-driven de novo design of bioactive compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Significance of gapped sequence alignments

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Antitumor activity of MLN8054, an orally active small-molecule inhibitor of Aurora A kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

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

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Discovery of a potent and selective aurora kinase inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

PHA-739358, a potent inhibitor of Aurora kinases with a selective target inhibition profile relevant to cancer.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

Aurora B couples chromosome alignment with anaphase by targeting BubR1, Mad2, and Cenp-E to kinetochores

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.12.148

21 January 2018

Identifiers

DOI

10.4155/FMC.12.148

1 reference

2 August 2017

1 reference