A decade of fragment-based drug design: strategic advances and lessons learned (Q36732253)

16 August 2017

1 reference

title

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

1 reference

16 August 2017

1 reference

Philip J Hajduk

1

1 reference

PubMed ID

17290284

16 August 2017

Jonathan Greer

series ordinal

2

1 reference

16 August 2017

9 February 2007

1 reference

Nature Reviews Drug Discovery

16 August 2017

1 reference

16 August 2017

6

1 reference

16 August 2017

3

1 reference

16 August 2017

211-219

1 reference

https://scigraph.springernature.com/pub.10.1038/nrd2220

16 August 2017

0 references

cites work

Can cell systems biology rescue drug discovery?

1 reference

Innovation: Rescuing drug discovery: in vivo systems pathology and systems pharmacology

21 January 2018

1 reference

The multiple orthogonal tools approach to define molecular causation in the validation of druggable targets

21 January 2018

1 reference

Genomics: success or failure to deliver drug targets?

21 January 2018

1 reference

Knockouts model the 100 best-selling drugs--will they model the next 100?

21 January 2018

1 reference

New assay technologies for high-throughput screening

21 January 2018

1 reference

Integrating virtual screening in lead discovery

21 January 2018

1 reference

Virtual screening of chemical libraries

21 January 2018

1 reference

Structural biology and drug discovery

21 January 2018

1 reference

Rediscovering the sweet spot in drug discovery.

21 January 2018

1 reference

Functionality maps of binding sites: a multiple copy simultaneous search method

21 January 2018

1 reference

NMR-based screening in drug discovery

21 January 2018

1 reference

Discovering high-affinity ligands for proteins: SAR by NMR

21 January 2018

1 reference

Phenoxyphenyl sulfone N-formylhydroxylamines (retrohydroxamates) as potent, selective, orally bioavailable matrix metalloproteinase inhibitors

21 January 2018

1 reference

An inhibitor of Bcl-2 family proteins induces regression of solid tumours

21 January 2018

1 reference

The role of Bcl-2 family members in tumorigenesis

21 January 2018

1 reference

Discovery of a potent inhibitor of the antiapoptotic protein Bcl-xL from NMR and parallel synthesis

21 January 2018

1 reference

Theory and applications of NMR-based screening in pharmaceutical research

21 January 2018

1 reference

NMR spectroscopy techniques for screening and identifying ligand binding to protein receptors

21 January 2018

1 reference

Structure-activity relationships by interligand NOE-based design and synthesis of antiapoptotic compounds targeting Bid.

21 January 2018

1 reference

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.

21 January 2018

1 reference

NMR-Based screening with competition water-ligand observed via gradient spectroscopy experiments: detection of high-affinity ligands

21 January 2018

1 reference

Discovering novel ligands for macromolecules using X-ray crystallographic screening

21 January 2018

1 reference

Fragment-based lead discovery: leads by design

21 January 2018

1 reference

Tethering: fragment-based drug discovery

21 January 2018

1 reference

Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection

21 January 2018

1 reference

Components of successful lead generation

21 January 2018

1 reference

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

21 January 2018

1 reference

Library design for fragment based screening

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens

21 January 2018

1 reference

Integration of NMR and high-throughput screening

21 January 2018

1 reference

Discovery of novel inhibitors of Bcl-xL using multiple high-throughput screening platforms

21 January 2018

1 reference

Ligand efficiency indices as guideposts for drug discovery.

21 January 2018

1 reference

Ligand efficiency: a useful metric for lead selection

21 January 2018

1 reference

Is there a difference between leads and drugs? A historical perspective

21 January 2018

1 reference

Drug-like properties and the causes of poor solubility and poor permeability

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits

21 January 2018

1 reference

Fragmentary solutions. Astex therapeutics puts the pieces together

21 January 2018

1 reference

Fragment screening by biochemical assay.

21 January 2018

1 reference

TINS, target immobilized NMR screening: an efficient and sensitive method for ligand discovery

21 January 2018

1 reference

Recent developments in dynamic combinatorial chemistry.

21 January 2018

1 reference

Design of adenosine kinase inhibitors from the NMR-based screening of fragments

21 January 2018

1 reference

Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism of inhibition and structure-based improvement of pharmaceutical properties

21 January 2018

1 reference

Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy

21 January 2018

1 reference

Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization

21 January 2018

1 reference

Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.

21 January 2018

1 reference

Requirements for Specific Binding of Low Affinity Inhibitor Fragments to the SH2 Domain ofpp60Src Are Identical to Those for High Affinity Binding of Full Length Inhibitors

21 January 2018

1 reference

SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2.

21 January 2018

1 reference

Efficient synthetic inhibitors of anthrax lethal factor

21 January 2018

1 reference

A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design

21 January 2018

1 reference

In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors

21 January 2018

1 reference

Discovery of a potent small molecule IL-2 inhibitor through fragment assembly

21 January 2018

1 reference

Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design

21 January 2018

1 reference

Structural analysis of caspase-1 inhibitors derived from Tethering.

21 January 2018

1 reference

Critical review of the role of HTS in drug discovery

21 January 2018

1 reference

A general NMR method for rapid, efficient, and reliable biochemical screening

31 March 2020

1 reference

Theoretical analysis of the inter-ligand overhauser effect: a new approach for mapping structural relationships of macromolecular ligands

31 March 2020

1 reference

Virtual exploration of the small-molecule chemical universe below 160 Daltons

31 March 2020

1 reference

Dynamic combinatorial chemistry

31 March 2020

1 reference

Identification of a lead small-molecule inhibitor of the Aurora kinases using a structure-assisted, fragment-based approach

31 March 2020

1 reference

Leveraging structural approaches: applications of NMR-based screening and X-ray crystallography for inhibitor design.

31 March 2020

1 reference

31 March 2020

Identifiers

DOI

10.1038/NRD2220

1 reference

PubMed ID

17290284

Dimensions Publication ID

16 August 2017

0 references

1 reference

PubMed ID

17290284