The rise of fragment-based drug discovery (Q33838157)

29 July 2017

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title

The rise of fragment-based drug discovery (English)

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29 July 2017

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Christopher W Murray

1

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PubMed ID

21378847

29 July 2017

David C Rees

series ordinal

2

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29 July 2017

1 June 2009

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29 July 2017

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29 July 2017

1

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29 July 2017

3

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29 July 2017

187-192

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https://scigraph.springernature.com/pub.10.1038/nchem.217

29 July 2017

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cites work

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

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Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

21 January 2018

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Fragment-based design of small molecule X-linked inhibitor of apoptosis protein inhibitors

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

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Characteristic physical properties and structural fragments of marketed oral drugs.

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

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Physiochemical drug properties associated with in vivo toxicological outcomes

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

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Studies leading to potent, dual inhibitors of Bcl-2 and Bcl-xL

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Fragment-based activity space: smaller is better

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Ligand efficiency: a useful metric for lead selection

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An inhibitor of FtsZ with potent and selective anti-staphylococcal activity

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Antibacterial alkoxybenzamide inhibitors of the essential bacterial cell division protein FtsZ.

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Fragment-based lead discovery using X-ray crystallography.

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Discovery and structure-activity relationship of antagonists of B-cell lymphoma 2 family proteins with chemopotentiation activity in vitro and in vivo

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Fragment-based approaches to enzyme inhibition

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The influence of drug-like concepts on decision-making in medicinal chemistry

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

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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design

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Generation of a set of simple, interpretable ADMET rules of thumb

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The Design of Leadlike Combinatorial Libraries

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Library design for fragment based screening

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The price of lost freedom: entropy of bimolecular complex formation

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Entropic Contributions to Rate Accelerations in Enzymic and Intramolecular Reactions and the Chelate Effect

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

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

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A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development

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A comparison of physiochemical property profiles of development and marketed oral drugs

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Fragment-based lead discovery

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Discovering high-affinity ligands for proteins: SAR by NMR

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

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Structural biology and drug discovery

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

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

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Fragment-based lead discovery: leads by design

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

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Reaching for high-hanging fruit in drug discovery at protein-protein interfaces

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

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Fragment-Based Drug Discovery

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Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins

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Deconstructing fragment-based inhibitor discovery

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Molecular recognition: the fragment approach in lead generation.

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Ligand efficiency indices as guideposts for drug discovery.

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The maximal affinity of ligands

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Recent developments in fragment-based drug discovery

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Fragment screening: an introduction

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On the attribution and additivity of binding energies

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Identifiers

DOI

10.1038/NCHEM.217

1 reference

PubMed ID

21378847

Dimensions Publication ID

29 July 2017

0 references

1 reference

PubMed ID

21378847