Evidence map›Paper›PMID 39473112›Full record

ArticleCurrent computer-aided drug design2026

Discovery of Two GSK3β Inhibitors from

Dabo Pan, Yong Zeng, Dewen Jiang, Yonghao Zhang, Mingkai Wu, Yaxuan Huang, Minzhen Han, Xiaojie Jin

Abstract read
In one paragraph

Article in Current computer-aided drug design, 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
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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

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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

8 authors.

Dabo PanDepartment of Medical Technology, Qiandongnan Vocational and Technical College for Nationalities, Kaili, 556000, China.
Yong ZengCollege of Pharmacy, the Affiliated Dazu's Hospital of Chongqing Medical University, Dazu, 402360, China.
Dewen JiangDepartment of Medical Technology, Qiandongnan Vocational and Technical College for Nationalities, Kaili, 556000, China.
Yonghao ZhangDepartment of Medical Technology, Qiandongnan Vocational and Technical College for Nationalities, Kaili, 556000, China.
Mingkai WuDepartment of Medical Technology, Qiandongnan Vocational and Technical College for Nationalities, Kaili, 556000, China.
Yaxuan HuangDepartment of Medical Technology, Qiandongnan Vocational and Technical College for Nationalities, Kaili, 556000, China.
Minzhen HanDepartment of Pharmacy, the Second Affiliated Hospital of Guizhou Medical University, Guizhou Medical University, Kaili, 556000, China.
Xiaojie JinCollege of Pharmacy, Gansu University of Chinese Medicine, Lanzhou, 730000, China.

Funding

High-level Innovative Talents Program of Guizhou Province QQCC[2022]201708Project of National Natural Science Foundation of China 81803347Scientific and Technological Founding of Guizhou Province QKHZC[2020]4Y087, QKHZC[2022]YB289Scientific and Technological Founding of Qiandongnan QDNKHJC[2023]10University Science and Technology Innovation Team of Department of Education of Guizhou Province QJJ[2023]099
6 · The paper itself

Abstract

objectiveKushen (Sophora flavescens Ait.) has a long history of medicinal use in China due to its medicinal values, such as antibacterial, antiviral, and anti-inflammatory. Rapid discovery of the components and the medicinal effects exerted by Kushen will help elucidate the science of Kushen in curing diseases. GSK3β (glycogen synthase kinase-3 beta) is a protein kinase with a wide range of physiological functions, such as antibacterial, antiviral, and anti-inflammatory. The discovery of inhibitors targeting GSK3β from Kushen was not only helpful for the rapid discovery of the components responsible for the efficacy of Kushen but also important for the development of novel drugs.

methodsIn this study, the chemical composition of Kushen was extracted from the TMSCP database. Molecular docking, GSK3β enzyme assay, and molecular dynamics simulations were used to discover the GSK3β inhibitors from the chemical composition of Kushen. RESULTS AND DISCUSSION: A total of 113 chemical compositions of Kushen were extracted from the TMSCP database. Molecular docking indicated that 15 chemical compositions of Kushen scored better than -8 kcal/mol against GSK3β. GSK3β enzyme assay demonstrated several inhibitory activities of kushenol I and kushenol F with IC

conclusionKushenol I and kushenol F could be the material basis for the antibacterial, antiviral, and anti-inflammatory properties of Kushen.

Indexed as

Drugs, Chinese HerbalGlycogen Synthase Kinase 3 betaProtein Kinase InhibitorsSophoraDrug DiscoveryHumansMolecular Docking SimulationMolecular Dynamics SimulationSophora flavescensStructure-Activity RelationshipDrugs, Chinese HerbalGlycogen Synthase Kinase 3 betaGSK3B protein, humanProtein Kinase InhibitorsGSK3βKushenkushenol Fkushenol Istructure-based virtual screeningTMSCP database.

Identifiers

PMID39473112
PMCPMC13358776

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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.