Evidence map›Paper›PMID 41696871›Full record

ArticleChemMedChem2026

Exploration of Antiplasmodium Chemical Space Identifies New Inhibitors of β-Hematin Formation from Areas of Enrichment.

Jessica L Thibaud, Dirkie C Myburgh, Rebecca D Sandlin, Kim Y Fong, Larnelle F Garnie, Kathryn J Wicht, David Kuter, David W Wright, Timothy J Egan, Katherine A de Villiers

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in ChemMedChem, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. Article
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

10 authors.

Jessica L ThibaudDepartment of Chemistry and Polymer Science, Stellenbosch University, South Africa.
Dirkie C MyburghDepartment of Chemistry and Polymer Science, Stellenbosch University, South Africa.
Rebecca D SandlinDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee, USA.
Kim Y FongDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee, USA.
Larnelle F GarnieDepartment of Chemistry, University of Cape Town, Rondebosch, South Africa.
Kathryn J WichtDepartment of Chemistry, University of Cape Town, Rondebosch, South Africa.
David KuterGenAIRx, Toronto, Canada.
David W WrightDepartment of Chemistry, Vanderbilt University, Nashville, Tennessee, USA.
Timothy J EganDepartment of Chemistry, University of Cape Town, Rondebosch, South Africa.
Katherine A de VilliersDepartment of Chemistry and Polymer Science, Stellenbosch University, South Africa.ORCID https://orcid.org/0000-0002-2932-395X

Funding

New tools for antimalarial target identificationR01AI143521 · NIAID · UNIVERSITY OF CAPE TOWN · PI WICHT, KATHRYN JEAN · 2019 to 2023
$709k
Plasmodium heme detoxification probesR01AI110329 · NIAID · UNIVERSITY OF CAPE TOWN · PI EGAN, TIMOTHY JOHN · 2014 to 2018
$668k
Lipid mediated formation of hemozoinR01AI083145 · NIAID · UNIVERSITY OF CAPE TOWN · PI EGAN, TIMOTHY JOHN · 2009 to 2012
$397k
National Institute of Allergy and Infectious Diseases Grant R01AI083145National Institute of Allergy and Infectious Diseases R01AI110329National Institute of Allergy and Infectious Diseases R01AI14352National Research Foundation Grant 87962NIAID NIH HHS R01 AI083145NIAID NIH HHS R01 AI110329NIAID NIH HHS R01 AI143521
6 · The paper itself

Abstract

The Tres Cantos Antimalarial Set (TCAMS) library is a valuable resource for identifying hits for the antimalarial pipeline. We used principal component analysis (PCA) to explore this tranche of chemical space. Applying a set of 17 two-dimensional (2D) molecular descriptors, the chemical space was mapped in 2D PC space. Thereafter, the locations of known inhibitors and noninhibitors of synthetic hemozoin (β-hematin) formation, a well-established drug target during the asexual blood stage of the Plasmodium falciparum parasite life cycle, were superimposed onto the 2D map and counted. Within the +PC1, -PC2 quadrant, an area of enrichment emerged that could be used to predict the activity of test compounds. A subset of 861 TCAMS compounds (45 inhibitors and 816 noninhibitors) yielded a 27% hit rate when filtered using the enrichment map. Thereafter, 81 diverse compounds with predicted activity were purchased and 20 (25%) were active. B37, which contains a pyrido carbazole scaffold, demonstrated potent β-hematin formation inhibitory activity (IC

Indexed as

AntimalarialsHemeproteinsPlasmodium falciparumSmall Molecule LibrariesMolecular StructurePrincipal Component AnalysisStructure-Activity RelationshipAntimalarialsHemeproteinshemozoinSmall Molecule Librariesantimalarialschemoinformaticshemozoininhibitors

Identifiers

PMID41696871
PMCPMC12908436

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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.