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Herb-target interaction network analysis helps to disclose molecular mechanism of traditional Chinese medicine
- Source :
- Scientific Reports
- Publication Year :
- 2016
- Publisher :
- Nature Publishing Group, 2016.
-
Abstract
- Though many studies have been performed to elucidate molecular mechanism of traditional Chinese medicines (TCMs) by identifying protein-compound interactions, no systematic analysis at herb level was reported. TCMs are prescribed by herbs and all compounds from a certain herb should be considered as a whole, thus studies at herb level may provide comprehensive understanding of TCMs. Here, we proposed a computational strategy to study molecular mechanism of TCM at herb level and used it to analyze a TCM anti-HIV formula. Herb-target network analysis was carried out between 17 HIV-related proteins and SH formula as well as three control groups based on systematic docking. Inhibitory herbs were identified and active compounds enrichment was found to contribute to the therapeutic effectiveness of herbs. Our study demonstrates that computational analysis of TCMs at herb level can catch the rationale of TCM formulation and serve as guidance for novel TCM formula design.
- Subjects :
- 0301 basic medicine
food.ingredient
Therapeutic effectiveness
TCM Formula
Anti-HIV Agents
Human Immunodeficiency Virus Proteins
Drug Evaluation, Preclinical
HIV Infections
Traditional Chinese medicine
Virus Replication
complex mixtures
TCM Formulation
Article
03 medical and health sciences
0302 clinical medicine
food
Interaction network
Medicine
Humans
Computational analysis
Medicine, Chinese Traditional
Multidisciplinary
Traditional medicine
business.industry
Molecular Docking Simulation
030104 developmental biology
030220 oncology & carcinogenesis
Herb
Molecular mechanism
HIV-1
business
Drugs, Chinese Herbal
Protein Binding
Subjects
Details
- Language :
- English
- ISSN :
- 20452322
- Database :
- OpenAIRE
- Journal :
- Scientific Reports
- Accession number :
- edsair.doi.dedup.....8a9fb74d994cc90b7c9b5a1ebf1a8e61
- Full Text :
- https://doi.org/10.1038/srep36767