Screening of key functional components of Taohong Siwu Decoction on ischemic stroke treatment based on multiobjective optimization approach and experimental validation.
Background: Taohong Siwu Decoction (THSWD) is a widely used traditional Chinese medicine (TCM) prescription in the treatment of ischemic stroke. There are thousands of chemical components in THSWD. However, the key functional components are still poorly understood. This study aimed to construct a ma...
| Publicado en: | BMC Complementary Medicine & Therapies Vol. 23; no. 1; pp. 1 - 18 |
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| Autores principales: | , , , , , , , , |
| Formato: | equations & formulas pictorial research tables/charts Journal Article |
| Publicado: |
BioMed Central
6/1/2023
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=164045391&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 164045391 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 26627671 MFH8 jtl: BMC Complementary Medicine & Therapies issn: 26627671 maglogo: N pubinfo: dt: 6/1/2023 vid: 23 iid: 1 pid: 24147 pub: BioMed Central artinfo: ui: 164045391 164045391 164045391 10.1186/s12906-023-03990-1 164045391 ppf: 1 ppct: 17 formats: tig: atl: Screening of key functional components of Taohong Siwu Decoction on ischemic stroke treatment based on multiobjective optimization approach and experimental validation. aug: au: Xu, Anqi Li, Wenxing Cai, Jieqi Wen, Zhuohua Wang, Kexin Chen, Yupeng Li, Xifeng Guan, Daogang Duan, Chuanzhi affil: Department of Cerebrovascular Surgery, Neurosurgery Center, Zhujiang Hospital, Southern Medical University, No.253. Gongye Middle Avenue, Haizhu District, 510280, Guangzhou, Guangdong, China sug: subj: Ischemic Stroke Drug Therapy Medicine, Chinese Traditional Plant Extracts Therapeutic Use Models, Statistical Plants Molecular Structure Algorithms Descriptive Statistics Oxygen Metabolism Glucose Metabolism Cell Viability Phytochemicals Gene Expression Profiling Signal Transduction Cell Culture Techniques One-Way Analysis of Variance Post Hoc Analysis Funding Source ab: Background: Taohong Siwu Decoction (THSWD) is a widely used traditional Chinese medicine (TCM) prescription in the treatment of ischemic stroke. There are thousands of chemical components in THSWD. However, the key functional components are still poorly understood. This study aimed to construct a mathematical model for screening of active ingredients in TCM prescriptions and apply it to THSWD on ischemic stroke. Methods: Botanical drugs and compounds in THSWD were acquired from multiple public TCM databases. All compounds were initially screened by ADMET properties. SEA, HitPick, and Swiss Target Prediction were used for target prediction of the filtered compounds. Ischemic stroke pathological genes were acquired from the DisGeNet database. The compound–target–pathogenic gene (C-T-P) network of THSWD was constructed and then optimized using the multiobjective optimization (MOO) algorithm. We calculated the cumulative target coverage score of each compound and screened the top compounds with 90% coverage. Finally, verification of the neuroprotective effect of these compounds was performed with the oxygen-glucose deprivation and reoxygenation (OGD/R) model. Results: The optimized C-T-P network contains 167 compounds, 1,467 predicted targets, and 1,758 stroke pathological genes. And the MOO model showed better optimization performance than the degree model, closeness model, and betweenness model. Then, we calculated the cumulative target coverage score of the above compounds, and the cumulative effect of 39 compounds on pathogenic genes reached 90% of all compounds. Furthermore, the experimental results showed that decanoic acid, butylphthalide, chrysophanol, and sinapic acid significantly increased cell viability. Finally, the docking results showed the binding modes of these four compounds and their target proteins. Conclusion: This study provides a methodological reference for the screening of potential therapeutic compounds of TCM. In addition, decanoic acid and sinapic acid screened from THSWD were found having potential neuroprotective effects first and verified with cell experiments, however, further in vitro and in vivo studies are needed to explore the precise mechanisms involved. pubtype: Academic Journal doctype: equations & formulas pictorial research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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