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Targets preliminary screening for the fresh natural drug molecule based on Cosine-correlation and similarity-comparison of local network.

Pengcheng Zhao | Lin Lin | Mozheng Wu | Lili Wang | Qi Geng | Li Li | Ning Zhao | Jianyu Shi | Cheng Lu
Journal of translational medicine | 2022

Chinese herbal medicine is made up of hundreds of natural drug molecules and has played a major role in traditional Chinese medicine (TCM) for several thousand years. Therefore, it is of great significance to study the target of natural drug molecules for exploring the mechanism of treating diseases with TCM. However, it is very difficult to determine the targets of a fresh natural drug molecule due to the complexity of the interaction between drug molecules and targets. Compared with traditional biological experiments, the computational method has the advantages of less time and low cost for targets screening, but it remains many great challenges, especially for the molecules without social ties.

Pubmed ID: 35115019

Research resources used in this publication

None found

Antibodies used in this publication

None found

Associated grants

  • Agency: National Natural Science Foundation of China,
    Id: 82074269
  • Agency: National Aerospace Science Foundation of China,
    Id: 61872297
  • Agency: Shanxi Provincial Key Research and Development Project,
    Id: 2020KW-063
  • Agency: Fundamental Research Funds for the Central public welfare research institutes,
    Id: Z0708

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This is a list of tools and resources that we have found mentioned in this publication.


Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (tool)

RRID:SCR_023757

Pharmacology platform of Chinese herbal medicines that captures relationships between drugs, targets and diseases. Database includes chemicals, targets and drug-target networks, and associated drug-target-disease networks, as well as pharmacokinetic properties for natural compounds involving oral bioavailability, drug-likeness, intestinal epithelial permeability, blood-brain-barrier, aqueous solubility.

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L-02 (tool)

RRID:CVCL_6926

Cell line L-02 is a Cancer cell line with a species of origin Homo sapiens

View all literature mentions