Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2025;28(5):781-797.
doi: 10.2174/0113862073285988240229081558.

Exploring the Constituents and Mechanisms of Polygonum multiflorum Thunb. in Mitigating Ischemic Stroke: A Network Pharmacology and Molecular Docking Study

Lingyu Ruan  1 , Mengyun Zheng  1 , Xinru Xia  1 , Chaofan Pang  1 , Yating Wang  1 , Zhiwei Fan  1 , Jingtian Yang  1 , Qing Qing  1 , Hongyan Lin  1 , Yuheng Tao  1 , Junsong Wang  2 , Liqun Wang  1
Affiliations

Exploring the Constituents and Mechanisms of Polygonum multiflorum Thunb. in Mitigating Ischemic Stroke: A Network Pharmacology and Molecular Docking Study

Lingyu Ruan et al. Comb Chem High Throughput Screen. 2025.

Abstract

Backgound: Polygonum multiflorum Thunb. (PMT) has shown promise in exerting cerebrovascular protective effects, and its potential for treating ischemic stroke (IS) has garnered attention. However, the lack of clarity regarding its chemical constituents and mechanisms has significantly hindered its clinical application.

Methods: In this study, we employed network pharmacology and molecular docking techniques for the first time to elucidate the potential compounds and targets of PMT in treating IS. The databases CTD, DrugBank, DisGeNET, GeneCards, OMIM, TTD, PGKB, NCBI, TCMIP, CNKI, PubMed, ZINC, STITCH, BATMAN, ETCM and Swiss provided information on targets related to IS and components of PMT, along with their associated targets. We constructed "compoundtarget" and protein-protein interaction (PPI) networks sourced from the STRING database using the Cytoscape software. Gene Ontology (GO) enrichment analysis and KEGG pathway analysis were conducted using the DAVID database. Molecular docking between core targets and active compounds was conducted using Autodock4 software. Experiments were performed in an oxygen- glucose deprivation and reperfusion (OGD/R) model to validate the anti-IS activity of compounds isolated from PMT preliminarily. Network pharmacological analysis revealed 16 core compounds, including resveratrol, polydatin, TSG, ω-hydroxyemodin, emodin anthrone, tricin, moupinamide, and others, along with 11 high-degree targets, such as PTGS1, PTGS2, ADORA1, ADORA2, CA1, EGFR, ESR1, ESR2, SRC, MMP3 and MMP9.

Results: GO and KEGG enrichment analyses revealed the involvement of HIF-1, Akt signaling pathway and energy metabolism-related signaling pathways. Molecular docking results emphasized eight key compounds and confirmed their interactions with corresponding targets. In vitro OGD/R model experiments identified TSG and tricin as the primary active substances within PMT for its anti-stroke activity.

Conclusion: This study contributes new insights into the potential development of PMT for stroke prevention and treatment.

Keywords: Polygonum multiflorum Thunb.; ischemic stroke; molecular docking; network pharmacology; oxygen-glucose deprivation and reperfusion (OGD/R); protein-protein interaction (PPI)..

PubMed Disclaimer

References

    1. Tsao C.W.; Aday A.W.; Almarzooq Z.I.; Alonso A.; Beaton A.Z.; Bittencourt M.S.; Boehme A.K.; Buxton A.E.; Carson A.P.; Commodore-Mensah Y.; Elkind M.S.V.; Evenson K.R.; Eze-Nliam C.; Ferguson J.F.; Generoso G.; Ho J.E.; Kalani R.; Khan S.S.; Kissela B.M.; Knutson K.L.; Levine D.A.; Lewis T.T.; Liu J.; Loop M.S.; Ma J.; Mussolino M.E.; Navaneethan S.D.; Perak A.M.; Poudel R.; Rezk-Hanna M.; Roth G.A.; Schroeder E.B.; Shah S.H.; Thacker E.L.; VanWagner L.B.; Virani S.S.; Voecks J.H.; Wang N.Y.; Yaffe K.; Martin S.S.; Heart disease and stroke statistics—2022 update: A report from the american heart association. Circulation 2022,145(8),e153-e639 - DOI - PubMed
    1. Xia C.; Zhou J.; Lu C.; Wang Y.; Tang T.; Cai Y.; Ju S.; Characterizing diaschisis-related thalamic perfusion and diffusion after middle cerebral artery infarction. Stroke 2021,52(7),2319-2327 - DOI - PubMed
    1. Xing C.; Arai K.; Lo E.H.; Hommel M.; Pathophysiologic cascades in ischemic stroke. Int J Stroke 2012,7(5),378-385 - DOI - PubMed
    1. Hankey G.J.; Neuroprotection for acute ischaemic stroke: Hope reignited. Lancet Neurol 2006,5(4),287-288 - DOI - PubMed
    1. Amani H.; Habibey R.; Hajmiresmail S.J.; Latifi S.; Pazoki-Toroudi H.; Akhavan O.; Antioxidant nanomaterials in advanced diagnoses and treatments of ischemia reperfusion injuries. J Mater Chem B Mater Biol Med 2017,5(48),9452-9476 - DOI - PubMed