Fragment-based approaches to enzyme inhibition (Q34706518)

4 August 2017

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title

Fragment-based approaches to enzyme inhibition (English)

1 reference

4 August 2017

Alessio Ciulli

1 reference

4 August 2017

Chris Abell

series ordinal

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4 August 2017

publication date

24 October 2007

1 reference

Current Opinion in Biotechnology

4 August 2017

published in

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4 August 2017

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4 August 2017

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4 August 2017

page(s)

489-496

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The interdependence between screening methods and screening libraries.

4 August 2017

cites work

1 reference

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A fragment-based approach for the discovery of isoform-specific p38alpha inhibitors

7 July 2018

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Identification of inhibitors of protein kinase B using fragment-based lead discovery

7 July 2018

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Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation

7 July 2018

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Application of fragment screening by X-ray crystallography to beta-secretase

7 July 2018

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A decade of fragment-based drug design: strategic advances and lessons learned

7 July 2018

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7 July 2018

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pH-tuneable binding of 2′-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study

7 July 2018

1 reference

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Drugs in other drugs: a new look at drugs as fragments

7 July 2018

1 reference

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Crystallization of protein-ligand complexes.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

The use of biophysical methods increases success in obtaining liganded crystal structures

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Fragment-based lead discovery: a chemical update

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Automated protein-ligand crystallography for structure-based drug design

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Biological assay challenges from compound solubility: strategies for bioassay optimization

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors.

7 July 2018

1 reference

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7 July 2018

1 reference

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Measurements of binding thermodynamics in drug discovery

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Library design for fragment based screening

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Fragment-based lead discovery: leads by design

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

The devil is still in the details--driving early drug discovery forward with biophysical experimental methods.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Druggability indices for protein targets derived from NMR-based screening data

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Navigating chemical space for biology and medicine

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Theory and applications of NMR-based screening in pharmaceutical research

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Evaluation of fluorescence-based thermal shift assays for hit identification in drug discovery

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Fragment-based lead discovery

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Ligand efficiency: a useful metric for lead selection

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Small-molecule inhibitors of protein-protein interactions: progressing towards the dream

7 July 2018

1 reference

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Molecular recognition: the fragment approach in lead generation.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

A ‘Rule of Three’ for fragment-based lead discovery?

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Detection of ligands from a dynamic combinatorial library by X-ray crystallography.

7 July 2018

1 reference

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Application and limitations of X-ray crystallographic data in structure-based ligand and drug design

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Second-site NMR screening and linker design

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

High-throughput crystallography for lead discovery in drug design.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Structure-based screening of low-affinity compounds

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

WaterLOGSY as a method for primary NMR screening: practical aspects and range of applicability.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

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

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

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

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

The additivity of substrate fragments in enzyme-ligand binding

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

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

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

The properties of known drugs. 1. Molecular frameworks

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Fragment screening by biochemical assay.

7 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Identification of hot spots within druggable binding regions by computational solvent mapping of proteins.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Fragment-based drug design: how big is too big?

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Fragment-based lead discovery using X-ray crystallography.

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Fragment-Based Drug Discovery

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

The consequences of translational and rotational entropy lost by small molecules on binding to proteins

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

NMR-Guided Fragment-Based Approach for the Design of tRNALys3 Ligands

26 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4441723

Using Fragment Cocktail Crystallography To Assist Inhibitor Design ofTrypanosoma bruceiNucleoside 2-Deoxyribosyltransferase†

26 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17959370

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Deconstructing fragment-based inhibitor discovery

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17959370

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Characterization of Ligand Binding by Saturation Transfer Difference NMR Spectroscopy

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17959370

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.COPBIO.2007.09.003

1 reference

4 August 2017

1 reference

4 August 2017

1 reference