Integrated data mining and network pharmacology to explore the prescription patterns from a senior TCM oncologist's clinical practice in treating chemotherapy-induced hand-foot syndrome.
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| Titel: | Integrated data mining and network pharmacology to explore the prescription patterns from a senior TCM oncologist's clinical practice in treating chemotherapy-induced hand-foot syndrome. |
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| Autoren: | Deng L; College of Integration of Traditional Chinese Medicine and Western Medicine, Southwest Medical University, Luzhou, China., Chen H; Wenzhou Graduate Joint Training Base, Zhejiang Chinese Medical University, Wenzhou, China., Xie G; College of Integration of Traditional Chinese Medicine and Western Medicine, Southwest Medical University, Luzhou, China.; Institute of Traditional Chinese Medicine of Sichuan Academy of Chinese Medicine Sciences (Sichuan Second Hospital of T.C.M), Chengdu, China. |
| Quelle: | Medicine [Medicine (Baltimore)] 2025 Oct 03; Vol. 104 (40), pp. e44872. |
| Publikationsart: | Journal Article |
| Sprache: | English |
| Info zur Zeitschrift: | Publisher: Lippincott Williams & Wilkins Country of Publication: United States NLM ID: 2985248R Publication Model: Print Cited Medium: Internet ISSN: 1536-5964 (Electronic) Linking ISSN: 00257974 NLM ISO Abbreviation: Medicine (Baltimore) Subsets: MEDLINE |
| Imprint Name(s): | Original Publication: Hagerstown, Md : Lippincott Williams & Wilkins |
| MeSH-Schlagworte: | Network Pharmacology*/methods , Data Mining*/methods , Medicine, Chinese Traditional*/methods , Drugs, Chinese Herbal*/therapeutic use , Drugs, Chinese Herbal*/pharmacology , Hand-Foot Syndrome*/drug therapy , Hand-Foot Syndrome*/etiology , Antineoplastic Agents*/adverse effects , Practice Patterns, Physicians'*/statistics & numerical data, Humans ; Retrospective Studies ; Molecular Docking Simulation ; Male ; Protein Interaction Maps |
| Abstract: | Competing Interests: The authors have no funding and conflicts of interest to disclose. Hand-foot syndrome (HFS) is a common and refractory adverse effect of chemotherapy lacking specific therapeutic strategies currently. Traditional Chinese medicine (TCM) has shown empirical efficacy in clinical HFS management. This study integrated data mining and network pharmacology to systematically elucidate the medication principles and molecular mechanisms underlying Professor Gang Xie's prescriptions for HFS. All medical records from Professor Xie's specialist clinic (January 2020 to March 2025) were retrospectively collected and standardized in Excel. Prescriptions were analyzed through frequency statistics, association and clustering. Active ingredients of core herb pairs and their disease-related targets were identified using TCMSP, HERB, GeneCards, PharmGKB and GEO databases. Protein-protein interaction (PPI) networks, gene ontology (GO), and Kyoto encyclopedia of genes and genomes (KEGG) pathway analyses were performed. Molecular docking validated interactions between key bioactive compounds and targets. This study involved 217 prescriptions containing 150 herbs. Core herb combinations comprised Radix Astragali (Huangqi), Poria (Fuling), and Radix Pseudostellariae (Taizishen), predominantly classified as spleen-tonifying agents with warm properties, targeting lung, spleen, and stomach meridians. Network analysis identified 67 bioactive compounds and 899 disease targets. Quercetin, kaempferol, acacetin and luteolin were identified the key ingredients. The core targets (TP53, STAT3, PIK3CA, HSP90AA1, AKT1, CTNNB1, PI3KR1, MAPK1) were enriched in MAPK and PI3K-Akt signaling pathways. Molecular docking confirmed strong binding affinity between key compounds and targets. Professor Xie's therapeutic strategy for HFS emphasizes "spleen fortification, phlegm elimination, and stasis resolution." The core herb combination likely exerts anti-HFS effects via modulation of MAPK and PI3K-Akt pathways, providing a pharmacological basis for TCM-driven HFS management. (Copyright © 2025 the Author(s). Published by Wolters Kluwer Health, Inc.) |
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| Contributed Indexing: | Keywords: data mining; hand-foot syndrome after chemotherapy; medication laws; network pharmacology; traditional Chinese medicine |
| Substance Nomenclature: | 0 (Drugs, Chinese Herbal) 0 (Antineoplastic Agents) |
| Entry Date(s): | Date Created: 20251007 Date Completed: 20251007 Latest Revision: 20251010 |
| Update Code: | 20251010 |
| PubMed Central ID: | PMC12499755 |
| DOI: | 10.1097/MD.0000000000044872 |
| PMID: | 41054059 |
| Datenbank: | MEDLINE |
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Nájsť tento článok vo Web of Science | Abstract: | Competing Interests: The authors have no funding and conflicts of interest to disclose.<br />Hand-foot syndrome (HFS) is a common and refractory adverse effect of chemotherapy lacking specific therapeutic strategies currently. Traditional Chinese medicine (TCM) has shown empirical efficacy in clinical HFS management. This study integrated data mining and network pharmacology to systematically elucidate the medication principles and molecular mechanisms underlying Professor Gang Xie's prescriptions for HFS. All medical records from Professor Xie's specialist clinic (January 2020 to March 2025) were retrospectively collected and standardized in Excel. Prescriptions were analyzed through frequency statistics, association and clustering. Active ingredients of core herb pairs and their disease-related targets were identified using TCMSP, HERB, GeneCards, PharmGKB and GEO databases. Protein-protein interaction (PPI) networks, gene ontology (GO), and Kyoto encyclopedia of genes and genomes (KEGG) pathway analyses were performed. Molecular docking validated interactions between key bioactive compounds and targets. This study involved 217 prescriptions containing 150 herbs. Core herb combinations comprised Radix Astragali (Huangqi), Poria (Fuling), and Radix Pseudostellariae (Taizishen), predominantly classified as spleen-tonifying agents with warm properties, targeting lung, spleen, and stomach meridians. Network analysis identified 67 bioactive compounds and 899 disease targets. Quercetin, kaempferol, acacetin and luteolin were identified the key ingredients. The core targets (TP53, STAT3, PIK3CA, HSP90AA1, AKT1, CTNNB1, PI3KR1, MAPK1) were enriched in MAPK and PI3K-Akt signaling pathways. Molecular docking confirmed strong binding affinity between key compounds and targets. Professor Xie's therapeutic strategy for HFS emphasizes "spleen fortification, phlegm elimination, and stasis resolution." The core herb combination likely exerts anti-HFS effects via modulation of MAPK and PI3K-Akt pathways, providing a pharmacological basis for TCM-driven HFS management.<br /> (Copyright © 2025 the Author(s). Published by Wolters Kluwer Health, Inc.) |
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| ISSN: | 1536-5964 |
| DOI: | 10.1097/MD.0000000000044872 |