1.Construction of digital specimens of Cordyceps sinensis using 3D reconstruction techniques
KANG Shuai ; LU Haoling ; CAI Liang ; SHI Jia
Drug Standards of China 2026;27(1):0058-0068
Objective: This study aimed to investigate a mature three-dimensional reconstruction technique using Cordyceps sinensis as an example, to establish the methodology for creating digital specimens of traditional Chinese medicine. This can lay a solid the foundation for digitizing traditional Chinese medicine samples and identifying their characteristics.
Methods: Based on the research results related to the characteristics identification of Cordyceps sinensis generated by the research team and survey of the existing literature, a characteristic identification evaluation method was designed. The key technical factors of three-dimensional reconstruction (measurement methods, repeatability and reproducibility, synthetic computation, digital specimen format, and color correction) were investigated. A methodology for constructing three-dimensional digital specimens of Cordyceps sinensis was established, and several types of samples (various origins, different completeness, diverse types) were subjected to three-dimensional reconstruction to validate this novel method.
Results: Through this methodological research, the application of three-dimensional reconstruction technology in the construction of digital specimens of Cordyceps sinensis was elegantly established. This method can accurately reproduce all the characteristic identification features of the physical samples. All the samples could be reconstructed into their corresponding three-dimensional digital specimens.
Conclusion: Overall, combining computer-aided three-dimensional reconstruction technology and methodology developed by us can create three-dimensional digital specimens of Cordyceps sinensis and provide a fundamental assessment for restoring the characteristic identification features.
2.Study on the pharmacodynamic material basis and mechanism of Shaogan Fuzi Decoction blood components in the treatment of rheumatoid arthritis based on UPLC-HRMS/MS and network pharmacology
Yiying ZHAO ; Linlin DONG ; Lu SHI ; Yige ZHAO ; Haoling LIU ; Zhanhong JIA ; Wenyan SUN
International Journal of Traditional Chinese Medicine 2023;45(10):1271-1280
Objective:To explore the possible pharmacodynamic material basis and mechanism of Shaogan Fuzi Decoction in the treatment of rheumatoid arthritis through ultra-high performance liquid chromatography-high-resolution tandem mass spectrometry (UPLC-HRMS/MS) combined with network pharmacology and molecular docking method.Methods:The blood components of Shaogan Fuzi Decoction were analyzed by UPLC-HRMS/MS; the targets of blood components in Shaogan Fuzi Decoction were predicted by PubChem database and Swiss Target Prediction database; DrugBank database, Therapeutic Target Database (TTD) and GeneCards database were used to screen rheumatoid arthritis-related targets, and Venn map of common targets was obtained; the protein interaction network was constructed by STRING database, and the key targets and key components were screened; GO function enrichment analysis and KEGG pathway enrichment analysis were performed by DAVID 6.8 database; the "blood component-target-pathway" network was constructed by Cytoscape 3.2.1 software; Autodock software was used to verify the molecular docking between the predicted key components and key targets in the network.Results:Totally 26 blood components of Shaogan Fuzi Decoction, 526 related targets, 478 related targets of rheumatoid arthritis, and 111 common targets were obtained; the key components such as tangeretin, kaempferol, glycyrrhetinic acid, liquiritigenin, quillaic acid and glabrolide were screened, which acted on key targets such as TNF, IL6, VEGFA, PTGS2, JUN and PPARG. They were mainly involved inflammatory response, steroid metabolic process, response to lipopolysaccharide, extracellular region, cytoplasm, RNA polymerase Ⅱ transcription factor activity, steroid bindingand other biological processes. It mainly regulated steroid hormone biosynthesis, PI3K-Akt signaling pathway, apoptosis, IL-17 signaling pathway, rheumatoid arthritisand other signaling pathways. Molecular docking results showed that the key components had good binding activity with key targets.Conclusion:Shaogan Fuzi Decoction may act on TNF, IL6, VEGFA, PTGS2, JUN, PPARG and other targets through tangeretin, kaempferol, glycyrrhetinic acid and other blood components to regulate PI3K-Akt and other signaling pathways, inhibiting cell proliferation and promoting apoptosis, reducing inflammation, to treat rheumatoid arthritis.

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