Lessons learnt from assembling screening libraries for drug discovery for neglected diseases (Q33309109)

25 July 2017

Lessons learnt from assembling screening libraries for drug discovery for neglected diseases (English)

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25 July 2017

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Ruth Brenk

1

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Paul G. Wyatt

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Paul Graham Wyatt

7

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Ian H. Gilbert

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Ian Hugh Gilbert

5

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author name string

Alessandro Schipani

2

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25 July 2017

Daniel James

3

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25 July 2017

Agata Krasowski

4

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25 July 2017

Julie Frearson

6

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25 July 2017

1 March 2008

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25 July 2017

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25 July 2017

3

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25 July 2017

3

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25 July 2017

435-444

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On sampling of fragment space

25 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Identifying druglike inhibitors of myelin-reactive T cells by phenotypic high-throughput screening of a small-molecule library

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

A high-throughput screening approach to anthrax lethal factor inhibition

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Discovery of 2-iminobenzimidazoles as a new class of trypanothione reductase inhibitor by high-throughput screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Drugs for bad bugs: confronting the challenges of antibacterial discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Drug discovery and development for neglected parasitic diseases

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Innovative lead discovery strategies for tropical diseases

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Virtual ligand screening: strategies, perspectives and limitations

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

A journey of hope: lessons learned from studies on rare diseases and orphan drugs

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

An empirical process for the design of high-throughput screening deck filters.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Relationships between Molecular Complexity, Biological Activity, and Structural Diversity

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Recent developments in focused library design: targeting gene-families

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Protein kinases as drug targets in trypanosomes and Leishmania

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Opportunities and Challenges in Antiparasitic Drug Discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

"In-house likeness": comparison of large compound collections using artificial neural networks

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Can the pharmaceutical industry reduce attrition rates?

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Pursuing the leadlikeness concept in pharmaceutical research.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

A fresh look at pharmaceutical screening library design

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Targeting metabolic pathways in microbial pathogens: oxidative stress and anti-folate drug resistance in trypanosomatids

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Hit and lead generation: beyond high-throughput screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Designing screens: how to make your hits a hit.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

A new approach to finding natural chemical structure classes

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Integration of virtual and high-throughput screening

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Two decades of orphan product development

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Protein kinases--the major drug targets of the twenty-first century?

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Drug development for neglected diseases: a deficient market and a public-health policy failure

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

A novel approach to combinatorial library design

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Property distribution of drug-related chemical databases.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2628535

Database diversity assessment: new ideas, concepts, and tools

21 June 2018

1 reference

PubMed

12 December 2020

1 reference

12 December 2020

How many leads from HTS?

1 reference

PubMed

12 December 2020

Strategic Pooling of Compounds for High-Throughput Screening

1 reference

PubMed

12 December 2020

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

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FCMDC.200700139

7 January 2021

inferred from DOI database lookup

Virtual Exploration of the Small-Molecule Chemical Universe below 160 Daltons

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FCMDC.200700139

7 January 2021

inferred from DOI database lookup

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

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FCMDC.200700139

7 January 2021

inferred from DOI database lookup

Identifiers

DOI

10.1002/CMDC.200700139

1 reference

25 July 2017

1 reference

25 July 2017

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