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Abstract: TH-PO373

Screening for Effective Components of Tripterygium wilfordii Hook F for the Treatment of Diabetic Nephropathy Based on Computer Simulation

Session Information

Category: Pharmacology (PharmacoKinetics, -Dynamics, -Genomics)

  • 1800 Pharmacology (PharmacoKinetics, -Dynamics, -Genomics)

Authors

  • Xu, Lengnan, Beijing Hospital, Beijing, China
  • Mao, Yonghui, Beijing Hospital, Beijing, China
  • Zhao, Ban, Beijing Hospital, Beijing, China

Group or Team Name

  • Department of Nephrology, Beijing Hospital, National Center of Gerontology
Background

Triptergium wilfordii Hook F (TwHF), is commonly used in the management of many renal diseases through antiinflammation and immunosuppressive in traditional Chinese medicine. How to reduce the toxicity of TwHF without affecting its efficacy has always been an important research issue. In this study, we used evidence-based research to detail the natural ingredients isolated from TwHF, referenced a gene library when screening for components effective in the management of diabetic nephropathy (DN) and provide a scientific foundation for the development of novel drugs for treatment of this condition.

Methods

CNKI, Wanfang, VIP, Pubmed and relevant databases were used to retrieve and summarize the components of TwHF. All data analyses were carried out using the Discovery Studio 4.5 System, and the Systemdockonlinedockingmethod platform to find active small molecules and effector proteins, and then using online big data to screen for genetic information relevant to DN.

Results

A total of 370 compounds classed into 4 main categories(36 sesquiterpenes , 93 diterpenes, 133 triterpenes and 106 alkaloids) obtained. A total of 46 small molecules were found to be biologically active constituents of TwHF in the setting of DN, mainly affecting the inflammatory response through PI3K-Akt and Jak-STAT pathways. 4 small molecules (Triptonoditerpenic Acid, Regeol C, Demethylzeylasteral and Demethylzeylasterone) mainly affected the inflammatory response. Through screening DN genes, 7 target proteins(VDR, JAK1, JAK2, JAK3, PPARG, MARK14, TGFBR1) were found to have high correlation scores.

Conclusion

The emergence of network pharmacology has completely altered the research approach towards novel drug development and has greatly compensated for a lack of experimental capabilities.We first report tripterygium glycosides to act on VDR. Further experimentation can confirm the accuracy of target and molecular networks as well as effective components of TwHF.