In silico approach in reveal traditional medicine plants pharmacological material basis

@article{Yi2018InSA,
  title={In silico approach in reveal traditional medicine plants pharmacological material basis},
  author={Fan Yi and Li Li and Li-jia Xu and Hong Meng and Yin-mao Dong and Hai-bo Liu and Pei-gen Xiao},
  journal={Chinese Medicine},
  year={2018},
  volume={13}
}
In recent years, studies of traditional medicinal plants have gradually increased worldwide because the natural sources and variety of such plants allow them to complement modern pharmacological approaches. As computer technology has developed, in silico approaches such as virtual screening and network analysis have been widely utilized in efforts to elucidate the pharmacological basis of the functions of traditional medicinal plants. In the process of new drug discovery, the application of… 
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References

SHOWING 1-10 OF 108 REFERENCES
TCMSP: a database of systems pharmacology for drug discovery from herbal medicines
TLDR
The particular strengths of TCMSP are the composition of the large number of herbal entries, and the ability to identify drug-target networks and drug-disease networks, which will help revealing the mechanisms of action of Chinese herbs, uncovering the nature ofTCM theory and developing new herb-oriented drugs.
TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine
TLDR
A database of medicinal materials and chemical compounds in Northeast Asian traditional medicine (TM-MC), for which medicinal materials are listed in the Korean, Chinese, and Japanese pharmacopoeias and information on the compound names of medicinal Materials can easily be confirmed online is constructed.
TCMID: traditional Chinese medicine integrative database for herb molecular mechanism analysis
TLDR
The web-based software displays a network for integrative relationships between herbs and their treated diseases, the active ingredients and their targets, which will facilitate the study of combination therapy and understanding of the underlying mechanisms for TCM at molecular level.
CHMIS-C: a comprehensive herbal medicine information system for cancer.
TLDR
It is demonstrated that this comprehensive herbal medicine information system may be used as an effective informatics tool for anticancer drug discovery.
Phytochemical Informatics of Traditional Chinese Medicine and Therapeutic Relevance
TLDR
Relationships between TCM profile and predicted activities were explored and indicate that ethnopharmacological data could play an important role in pharmaceutical prospecting from Chinese herbs as well as identifying links between Chinese and Western medicine.
TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico
TLDR
TCM Database@Taiwan is currently the world's largest non-commercial TCM database and is believed to be a milestone on the path towards modernizing traditional Chinese medicine.
Molecular Docking and Structure-Based Drug Design Strategies
TLDR
The purpose of this review is to examine current molecular docking strategies used in drug discovery and medicinal chemistry, exploring the advances in the field and the role played by the integration of structure- and ligand-based methods.
Molecular docking, QSAR and ADMET based mining of natural compounds against prime targets of HIV
TLDR
Few best fit molecules of natural origin against identified targets which may give new drugs to combat HIV infection after wet lab validation are identified.
...
...