Combining Network Pharmacology, Molecular Docking, and Integrative Studies to Explore the Mechanism of Helminthostachys zeylanica in Alleviating Ulcerative Colitis.
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| Title: | Combining Network Pharmacology, Molecular Docking, and Integrative Studies to Explore the Mechanism of Helminthostachys zeylanica in Alleviating Ulcerative Colitis. |
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| Authors: | Lin, Chih‐Ting1,2,3 (AUTHOR), Lin, Li‐Wei1 (AUTHOR), Chang, Li‐Ching4 (AUTHOR), Wu, Lung‐Yuan1,5 (AUTHOR), Tsai, Fan‐Shiu1 (AUTHOR) asura0734@isu.edu.tw |
| Source: | Food Science & Nutrition. Nov2025, Vol. 13 Issue 11, p1-17. 17p. |
| Subject Terms: | Ulcerative colitis, Toll-like receptors, Molecular docking, NF-kappa B, Anti-inflammatory agents, Bioinformatics, Bioactive compounds |
| Abstract: | Helminthostachys zeylanica (L.) hook (HZ), has recently gained attention as a potential herbal supplement for managing ulcerative colitis (UC) through its bioactive compounds. To comprehensively investigate HZ's therapeutic effects and underlying mechanisms on UC, we utilized network pharmacology and in vitro and in vivo analyses. The therapeutic potential of HZ was evaluated using a DSS‐induced mouse model of ulcerative colitis, alongside in vitro cellular studies. A network pharmacology approach was first used to predict the active compounds and molecular targets of HZ. Subsequently, integrated experimental techniques—including ELISA, Western blotting, histological analysis, immunofluorescence, flow cytometry, and molecular docking—were employed to validate and support the predicted mechanisms. Network pharmacology analysis identified 15 active compounds in HZ, contributing to its multi‐target synergistic activity and anti‐inflammatory effects. HZ was found to modulate multiple inflammatory pathways, particularly the Toll‐like receptor 4 (TLR4) and NF‐κB signaling pathways, regulating vital inflammatory mediators such as tumor necrosis factor‐α (TNF‐α), interleukin‐6 (IL‐6), and interleukin‐1β (IL‐1β), emphasizing its therapeutic potential in UC. ELISA, Western blot, and histological analyses confirmed that HZ significantly reduced colon inflammation. Immunofluorescence and flow cytometry analyses also demonstrated that HZ alleviated inflammation by regulating TLR4/NF‐κB and CD3 signaling pathways without involving apoptosis. Ultimately, molecular docking further identified core compounds, including Ugonin M, O, K, and R, which exhibited strong binding affinity to critical proteins in the TLR4/NF‐κB pathway, such as TAK1, IKKβ, and RELA, underscoring their role in HZ's anti‐inflammatory mechanisms. Collectively, these findings provide a solid basis for further investigation into the mechanistic effects and broader clinical potential of HZ as a therapeutic approach for UC. [ABSTRACT FROM AUTHOR] |
| Copyright of Food Science & Nutrition is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
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| Header | DbId: 8gh DbLabel: GreenFILE An: 189525117 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Combining Network Pharmacology, Molecular Docking, and Integrative Studies to Explore the Mechanism of Helminthostachys zeylanica in Alleviating Ulcerative Colitis. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Lin%2C+Chih‐Ting%22">Lin, Chih‐Ting</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lin%2C+Li‐Wei%22">Lin, Li‐Wei</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chang%2C+Li‐Ching%22">Chang, Li‐Ching</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wu%2C+Lung‐Yuan%22">Wu, Lung‐Yuan</searchLink><relatesTo>1,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Tsai%2C+Fan‐Shiu%22">Tsai, Fan‐Shiu</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> asura0734@isu.edu.tw</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Food+Science+%26+Nutrition%22">Food Science & Nutrition</searchLink>. Nov2025, Vol. 13 Issue 11, p1-17. 17p. – Name: Subject Label: Subject Terms Group: Su Data: <searchLink fieldCode="DE" term="%22Ulcerative+colitis%22">Ulcerative colitis</searchLink><br /><searchLink fieldCode="DE" term="%22Toll-like+receptors%22">Toll-like receptors</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+docking%22">Molecular docking</searchLink><br /><searchLink fieldCode="DE" term="%22NF-kappa+B%22">NF-kappa B</searchLink><br /><searchLink fieldCode="DE" term="%22Anti-inflammatory+agents%22">Anti-inflammatory agents</searchLink><br /><searchLink fieldCode="DE" term="%22Bioinformatics%22">Bioinformatics</searchLink><br /><searchLink fieldCode="DE" term="%22Bioactive+compounds%22">Bioactive compounds</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Helminthostachys zeylanica (L.) hook (HZ), has recently gained attention as a potential herbal supplement for managing ulcerative colitis (UC) through its bioactive compounds. To comprehensively investigate HZ's therapeutic effects and underlying mechanisms on UC, we utilized network pharmacology and in vitro and in vivo analyses. The therapeutic potential of HZ was evaluated using a DSS‐induced mouse model of ulcerative colitis, alongside in vitro cellular studies. A network pharmacology approach was first used to predict the active compounds and molecular targets of HZ. Subsequently, integrated experimental techniques—including ELISA, Western blotting, histological analysis, immunofluorescence, flow cytometry, and molecular docking—were employed to validate and support the predicted mechanisms. Network pharmacology analysis identified 15 active compounds in HZ, contributing to its multi‐target synergistic activity and anti‐inflammatory effects. HZ was found to modulate multiple inflammatory pathways, particularly the Toll‐like receptor 4 (TLR4) and NF‐κB signaling pathways, regulating vital inflammatory mediators such as tumor necrosis factor‐α (TNF‐α), interleukin‐6 (IL‐6), and interleukin‐1β (IL‐1β), emphasizing its therapeutic potential in UC. ELISA, Western blot, and histological analyses confirmed that HZ significantly reduced colon inflammation. Immunofluorescence and flow cytometry analyses also demonstrated that HZ alleviated inflammation by regulating TLR4/NF‐κB and CD3 signaling pathways without involving apoptosis. Ultimately, molecular docking further identified core compounds, including Ugonin M, O, K, and R, which exhibited strong binding affinity to critical proteins in the TLR4/NF‐κB pathway, such as TAK1, IKKβ, and RELA, underscoring their role in HZ's anti‐inflammatory mechanisms. Collectively, these findings provide a solid basis for further investigation into the mechanistic effects and broader clinical potential of HZ as a therapeutic approach for UC. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Food Science & Nutrition is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1002/fsn3.71139 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 17 StartPage: 1 Subjects: – SubjectFull: Ulcerative colitis Type: general – SubjectFull: Toll-like receptors Type: general – SubjectFull: Molecular docking Type: general – SubjectFull: NF-kappa B Type: general – SubjectFull: Anti-inflammatory agents Type: general – SubjectFull: Bioinformatics Type: general – SubjectFull: Bioactive compounds Type: general Titles: – TitleFull: Combining Network Pharmacology, Molecular Docking, and Integrative Studies to Explore the Mechanism of Helminthostachys zeylanica in Alleviating Ulcerative Colitis. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Lin, Chih‐Ting – PersonEntity: Name: NameFull: Lin, Li‐Wei – PersonEntity: Name: NameFull: Chang, Li‐Ching – PersonEntity: Name: NameFull: Wu, Lung‐Yuan – PersonEntity: Name: NameFull: Tsai, Fan‐Shiu IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 11 Text: Nov2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 20487177 Numbering: – Type: volume Value: 13 – Type: issue Value: 11 Titles: – TitleFull: Food Science & Nutrition Type: main |
| ResultId | 1 |
