Comprehensive analysis of pharmacodynamic substances in traditional Chinese medicine compound prescriptions

Comprehensive analysis of pharmacodynamic substances in traditional Chinese medicine compound prescriptions

Traditional Chinese Medicine

Product Overview

In modern TCM research, accurately identifying "pharmacologically active substances" from hundreds or even thousands of components and explaining their dynamic mechanisms of action in vivo is crucial to the depth of research and the potential for drug development. Wininnovate Bio has built a high-end technology platform centered on a self-developed database of characteristic fragments of TCM, providing a one-stop solution for the modernization of TCM research through a logical closed loop combining in vivo and in vitro methods.

This product employs a four-pronged research model: "in vitro component analysis + in vivo blood screening + bioinformatics target prediction + dynamic simulation verification." By combining high-resolution mass spectrometry with a self-built large-scale traditional Chinese medicine mass spectrometry database, it not only identifies "what" the original traditional Chinese medicine formula contains and which herb it originates from, but also delves into "what" enters the human bloodstream, revealing its pharmacological mechanism at the atomic level.

Technical Process

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Technological Advantages

Self-built database: A database of Chinese herbal medicine standards and their components, combined with a large-scale mass spectrometry database constructed using Waters Progenesis QI 3.0 software, covering over 1000 Chinese herbs and over 20,000 components, enabling targeted screening and identification of components.

Panoramic perspective: Covering the entire process from the material basis of drugs to biokinetic equilibrium.

Application Areas

Research on the effective components of Traditional Chinese Medicine (TCM): Analysis of component content in medicinal materials, quality control of medicinal materials, and comparison of processing techniques.

Serial pharmacochemistry research of TCM: Components of TCM entering the bloodstream, efficacy evaluation, and clinical application.

Pharmacological research of TCM: Network pharmacology to explore deeper mechanisms of action of TCM.

Research on the decomposition and recombination of TCM prescriptions: Decomposition of compound prescriptions, attribution of single-herb prescriptions, and exploration of key components in prescriptions.

Case Studies

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Network、pathway analysis、Molecular docking and molecular dynamics simulation of the PU-protein interaction [1]

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Network、pathway analysis、Molecular docking and molecular dynamics simulation of CE ameliorates IBD[2]

From comprehensive to precise screening: Analysis of the original formula identifies the overall composition, followed by blood-entry analysis to eliminate ineffective impurities, ensuring that subsequent research focuses on genuine pharmacologically active substances.

From static to dynamic validation: Network pharmacology is used to construct preliminary mechanism maps, followed by molecular dynamics (MD) simulations to verify the dynamic stability of molecule-protein binding in a simulated human environment.

SCI-level output: The entire process provides charts and graphs that meet the requirements of high-impact journals (such as high-resolution mass spectrometry comparison diagrams, PPI network diagrams, RMSD stationary curves, etc.), providing authoritative evidence for the development of innovative traditional Chinese medicine drugs, the development of classic formulas, and the analysis of clinical mechanisms of action.

These publications demonstrate the paradigm of publishing in top journals using the combined application of mass spectrometry, network pharmacology, and molecular docking/MD. Following the recognized standard of "component-blood-target-dynamic validation," the research data is highly persuasive.

Sample Submission Requirement

Sample Type
Medicinal herbs, powdered medicine, granules, capsules
Minimum Sample Quantity
5g
Preparation Requirements
① Storage conditions: Refer to the pharmacopoeia (ventilated and dry place, protected from insects and mold); ② Shelf life: Six months, it is recommended to send samples as soon as possible after preparation; ③ Provide the granules, extracts or powder directly from the capsules.
Sample Type
Decoctions, injections, extracts
Minimum Sample Quantity
20ml
Preparation Requirements
① Storage conditions: It is recommended to place the sample in a 50ml centrifuge tube after preparation and freeze at -20℃, then seal with sealing film for storage; ② Sample loading suggestion: Generally, do not exceed 2/3 of the centrifuge tube; ③ Shelf life: Six months. It is recommended to send the sample as soon as possible after preparation.
Sample Type
Serum/Urine
Minimum Sample Quantity
500 μL
Preparation Requirements
① Storage conditions: It is recommended to place the sample in a 2ml centrifuge tube after preparation, freeze at -20℃, seal with sealing film, and send the sample as soon as possible.

References

[1]

Hailun Yao, Yao Zhang, Lizhong Lin, Shenhui Yang, Dexiang Chen, Lu He, Wu Jian, Puerarin mitigates tumor necrosis factor-nuclear factor-κB axis-driven macrophage inflammation and atherogenesis: Integrative network pharmacology and experimental validation Phytomedicine, 2026;158025.

[2]

Haiyang Diao, Tonghui Qin, Yifei Zheng, Linlin Han, Yuqing Zhao Integrated Analysis of Transcriptomics and Network Pharmacology Reveals the Therapeutic Mechanism of Cedrol in IBD Phytomedicine, 2026;157969..

[3]

Peng Zhang, Dingfan Zhang, Wuai Zhou, Lan Wang, Boyang Wang, Tingyu Zhang, Shao Li Network pharmacology: towards the artificial intelligence-based precision traditional Chinese medicine Briefings in Bioinformatics, 25(1), 2024;bbad518.

Shenzhen Wininnovate Bio Co., Ltd.

Innovative mass spectrometry and AI technologies provide protein and metabolite mass spectrometry multi-omics solutions for life science research, empowering the growth of the biotechnology, pharmaceutical, and healthcare industries.

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Comprehensive analysis of pharmacodynamic substances in traditional Chinese medicine compound prescriptions | Wininnovate Bio