Evidence map›Paper›PMID 41693340›Full record

ArticleChemMedChem2026

Small Molecule Kinase Inhibitors with In Vitro β-Hematin Formation and Plasmodium falciparum Protein Kinase G Inhibitory Activity Identified Using Machine Learning.

Jessica L Thibaud, Nicolaas Salomane, Sarah Harries, Kathryn J Wicht, Lauren B Coulson, David Kuter, Kelly Chibale, 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 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

8 authors.

Jessica L ThibaudDepartment of Chemistry and Polymer Science, Stellenbosch University, Stellenbosch, South Africa.
Nicolaas SalomaneHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town, South Africa.
Sarah HarriesDepartment of Chemistry, University of Cape Town, Cape Town, South Africa.
Kathryn J WichtHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town, South Africa.
Lauren B CoulsonHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town, South Africa.
David KuterGenAIRx, Toronto, Ontario, Canada.
Kelly ChibaleHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town, South Africa.
Katherine A de VilliersDepartment of Chemistry and Polymer Science, Stellenbosch University, Stellenbosch, 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
National Institute of Allergy and Infectious Diseases 5R01AI143521NIAID NIH HHS R01 AI143521
6 · The paper itself

Abstract

Using a combination of molecular docking and machine learning, the BioVision Protein Kinase Inhibitor library was screened for potential inhibitors with dual activity against two Plasmodium falciparum targets, β-hematin (synthetic hemozoin) formation and cGMP-dependent protein kinase (PfPKG). Three compounds with promising activity against both targets were identified. Derazantinib is the most potent hit compound with IC

Indexed as

AntimalarialsCyclic GMP-Dependent Protein KinasesHemeproteinsMachine LearningPlasmodium falciparumProtein Kinase InhibitorsSmall Molecule LibrariesDose-Response Relationship, DrugMolecular Docking SimulationMolecular StructureStructure-Activity RelationshipAntimalarialsCyclic GMP-Dependent Protein KinasesHemeproteinshemozoinProtein Kinase InhibitorsSmall Molecule Librariesantimalarialmachine learningpolypharmacologyprincipal component analysisβ‐hematin

Identifiers

PMID41693340
PMCPMC12907745

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.