Evidence map›Paper›PMID 42083988›Full record

ArticleJournal of chemical information and modeling2026

Integrating QSAR-Machine Learning, Biochemical Assays, and Molecular Dynamics for the Discovery of JAK2 Inhibitors in Cervical Cancer.

Duangjai Todsaporn, Kamonpan Sanachai, Nattanit Suddee, Chompunud Kanjanapanyakom, Phornphimon Maitarad, Rattana Worayuthakarn, Chanat Aonbangkhen, Nopporn Thasana, Thanyada Rungrotmongkol

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In one paragraph

Article in Journal of chemical information and modeling, 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

9 authors.

Duangjai TodsapornDepartment of Biochemistry, Faculty of Science, Center of Excellence in Structural and Computational Biology, Chulalongkorn University, Bangkok 10330, Thailand.
Kamonpan SanachaiDepartment of Biochemistry, Faculty of Science, Khon Kaen University, Khon Kaen 40002, Thailand.
Nattanit SuddeeLaboratory of Medicinal Chemistry, Chulabhorn Research Institute, Bangkok 10210, Thailand.
Chompunud KanjanapanyakomCenter of Excellence in Natural Products Chemistry (CENP), Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.ORCID 0009-0007-6570-7305
Phornphimon MaitaradResearch Center of Nano Science and Technology, Department of Chemistry College of Science, Shanghai University, Shanghai 200444, PR China.ORCID 0000-0003-0035-0070
Rattana WorayuthakarnLaboratory of Medicinal Chemistry, Chulabhorn Research Institute, Bangkok 10210, Thailand.
Chanat AonbangkhenCenter of Excellence in Natural Products Chemistry (CENP), Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.ORCID 0000-0002-7378-1341
Nopporn ThasanaLaboratory of Medicinal Chemistry, Chulabhorn Research Institute, Bangkok 10210, Thailand.ORCID 0000-0002-0572-4871
Thanyada RungrotmongkolDepartment of Biochemistry, Faculty of Science, Center of Excellence in Structural and Computational Biology, Chulalongkorn University, Bangkok 10330, Thailand.ORCID 0000-0002-7402-3235

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Cervical cancer remains a major global health challenge, where dysregulated JAK2 signaling constitutes a key molecular driver. Nevertheless, selective small-molecule JAK2 inhibitors for HPV-positive cervical cancer are still limited. Here, we integrated biochemical assays, QSAR-machine learning, and molecular dynamics simulations to identify potent JAK2 inhibitors. A series of naphthalene-based derivatives, including hydroxynaphthalenamide and phosphorylated dihydronaphthylamide analogs, were evaluated for cytotoxicity in HeLa cells and JAK2 kinase inhibition. Several compounds exhibited selective cytotoxicity with minimal activity toward normal fibroblasts, among which

Indexed as

Antineoplastic AgentsDrug DiscoveryJanus Kinase 2Machine LearningMolecular Dynamics SimulationProtein Kinase InhibitorsQuantitative Structure-Activity RelationshipUterine Cervical NeoplasmsApoptosisFemaleHeLa CellsHumansAntineoplastic AgentsJAK2 protein, humanJanus Kinase 2Protein Kinase Inhibitors

Identifiers

PMID42083988
PMCPMC13213829

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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.