Evidence map›Paper›PMID 41695591›Full record

ArticleRSC medicinal chemistry2026

Leveraging fragment-based drug discovery to advance 3D scaffolds into potent ligands: application to the histamine H

Tom Dekker, Oscar P J van Linden, Herman D Lim, Mabel E Dekker, Henry F Vischer, Rob Leurs, Tiffany van der Meer, Maurice C M L Buzink, David J Hamilton, Barbara Zarzycka and 3 more

Abstract read
In one paragraph

Article in RSC medicinal chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

13 authors.

Tom DekkerDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0001-6415-8040
Oscar P J van LindenDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0002-5272-5818
Herman D LimDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0002-7368-0081
Mabel E DekkerDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0009-0006-2710-6552
Henry F VischerDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0002-0184-6337
Rob LeursDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0003-1354-2848
Tiffany van der MeerDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.
Maurice C M L BuzinkDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0009-0008-1312-6880
David J HamiltonDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0002-3030-9485
Barbara ZarzyckaDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0002-7202-5317
Elwin JanssenDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0003-4583-3770
Maikel WijtmansDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0001-8955-8016
Iwan J P de EschDivision of Medicinal Chemistry, Amsterdam Institute of Molecular and Life Sciences, Faculty of Science, Vrije Universiteit Amsterdam De Boelelaan 1108 1081 HZ Amsterdam The Netherlands i.de.esch@vu.nl.ORCID https://orcid.org/0000-0002-1969-0238

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Fragment-based drug discovery (FBDD) often relies on screening simple, 2D aromatic fragments, with the introduction of 3D character typically being reserved for later stages of hit optimization. The use of 3D screening fragments has been limited because of concerns about reduced hit rates and limited availability arising from synthetic accessibility constraints. Consequently, the chemical diversity of screening libraries has been restricted, and the potential of 3D scaffolds remains underexplored. To address these limitations, we developed novel synthetic methodologies for constructing 3D scaffolds and integrated them into FBDD workflows, which we consider an optimal strategy to advance these chemistries into hit optimization programs. Here, we report the screening of a focused 3D fragment library and the identification of a cyclobutane-containing hit for the histamine H

Identifiers

PMID41695591
PMCPMC12895670

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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.