Unveiling the molecular mechanism of Qingwen Baidu decoction against dengue fever: an integrated study of bioinformatic analysis, machine learning and network pharmacology.

Yan Xiao, Zhanchen Liu, Shengjie Hu, Peng Yao, Yajun Liu, Maosheng Cheng

Abstract read

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Article in Functional & integrative genomics, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

6 authors.

Yan Xiao *Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, and School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, China.

Zhanchen Liu *Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, and School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, China.

Shengjie HuKey Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, and School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, China.

Peng YaoKey Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, and School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, China.

Yajun LiuKey Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, and School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, China. liuyajun@syphu.edu.cn.

Maosheng ChengKey Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, and School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, 110016, China. mscheng@syphu.edu.cn.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Dengue fever, a mosquito-borne disease caused by dengue virus (DENV), has become a global health problem, and no FDA-approved drug is currently available. Qingwen Baidu Decoction (QBD) is used to treat the critical phase of dengue fever in China, but its mechanism of action remains unclear. In this work, we integrated bioinformatics analysis, machine learning, and network pharmacology to investigate the possible molecular targets and potential active chemical components of QBD. Common targets between differentially expressed genes from DENV infected samples and predicted targets of QBD were identified by bioinformatics analysis and refined by machine learning algorithms including LASSO, random forest and SVM-RFE. Three core genes, CXCL10, EZH2 and EPHB2 were significantly overexpressed in dengue fever patients, indicating their potential diagnostic and therapeutic value. Single cell transcriptome analysis further revealed that QBD primarily targets dendritic cells, monocytes and macrophages. Immune infiltration analysis using ssGSEA showed that these three core genes were significantly associated with CD4

Indexed as

DengueDrugs, Chinese HerbalChemokine CXCL10Computational BiologyDengue VirusHumansMachine LearningMolecular Docking SimulationNetwork PharmacologyChemokine CXCL10CXCL10 protein, humanDrugs, Chinese HerbalBioinformatic analysisDengue feverMachine learningNetwork pharmacologyQingwen Baidu Decoction

Identifiers

PMID42332327

DOI10.3389/fmed.2021.825876

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