Evidence map›Paper›PMID 36324499›Full record

ArticleRSC medicinal chemistry2022

Fragment screening at AstraZeneca: developing the next generation biophysics fragment set.

Simon C C Lucas, Ulf Börjesson, Mark J Bostock, John Cuff, Fredrik Edfeldt, Kevin J Embrey, Per-Olof Eriksson, Andrea Gohlke, Anders Gunnarson, Michael Lainchbury and 6 more

Open access · greenAbstract read
In one paragraph

Article in RSC medicinal chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
1.7field-weighted citation impact, top 14% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed, 12 citations in OpenAlex.

  1. Review
  2. Article
  3. Article
  4. Article
  5. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

16 authors at 2 institutions in 2 countries.

Simon C C LucasHit Discovery, Discovery Sciences, R&D, AstraZeneca Cambridge UK simon.lucas1@astrazeneca.com.ORCID https://orcid.org/0000-0002-9172-8739
Ulf BörjessonHit Discovery, Discovery Sciences, R&D, AstraZeneca Gothenburg Sweden.
Mark J BostockMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Cambridge UK.ORCID https://orcid.org/0000-0001-6717-5786
John CuffCompound Synthesis and Management, Discovery Sciences, R&D, AstraZeneca Alderley Park UK.
Fredrik EdfeldtMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Gothenburg Sweden.
Kevin J EmbreyMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Cambridge UK.
Per-Olof ErikssonMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Gothenburg Sweden.
Andrea GohlkeMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Cambridge UK.
Anders GunnarsonMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Gothenburg Sweden.
Michael LainchburyHit Discovery, Discovery Sciences, R&D, AstraZeneca Cambridge UK simon.lucas1@astrazeneca.com.
Alexander G MilbradtMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Cambridge UK.
Rachel MooreHit Discovery, Discovery Sciences, R&D, AstraZeneca Alderley Park UK.ORCID https://orcid.org/0000-0003-2388-071X
Philip B RawlinsMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Cambridge UK.
Ian SinclairCompound Synthesis and Management, Discovery Sciences, R&D, AstraZeneca Alderley Park UK.
Christopher StubbsMechanistic and Structural Biology, Discovery Sciences, R&D, AstraZeneca Cambridge UK.
R Ian StorerHit Discovery, Discovery Sciences, R&D, AstraZeneca Cambridge UK simon.lucas1@astrazeneca.com.
AstraZeneca (United Kingdom) · GBAstraZeneca (Sweden) · SE

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Fragment based drug discovery is a critical part of the lead generation toolbox and relies heavily on a readily available, high quality fragment library. Over years of use, the AstraZeneca fragment set had become partially depleted and instances of compound deterioration had been found. It was recognised that a redevelopment was required. This provided an opportunity to evolve our screening sets strategy, whilst ensuring that the quality of the fragment set met the robust requirements of fragment screening campaigns. In this communication we share the strategy employed, in particular highlighting two aspects of our approach that we believe others in the community would benefit from, namely that; (i) fragments were selected with input from Medicinal Chemists at an early stage, and (ii) the library was arranged in a layered format to ensure maximum flexibility on a per target basis.

Identifiers

PMID36324499
PMCPMC9491351
OpenAlexW4285151247

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.