2014 | Jinlong Ru, Peng Li, Jinan Wang, Wei Zhou, Bohui Li, Chao Huang, Pidong Li, Zihu Guo, Weiyang Tao, Yinfeng Yang, Xue Xu, Yan Li, Yonghua Wang and Ling Yang
TCMSP is a database of systems pharmacology for drug discovery from herbal medicines. It was developed to integrate information on pharmacochemistry, ADME properties, drug-likeness, drug targets, associated diseases, and interaction networks. The database includes 499 Chinese herbs registered in the Chinese pharmacopoeia, with 29,384 ingredients, 3,311 targets, and 837 associated diseases. It provides twelve important ADME-related properties for drug screening and evaluation, and allows users to view and analyze drug action mechanisms through compound-target and target-disease networks.
The database is designed to support the development of herbal medicines and promote integration between modern and traditional medicine for drug discovery and development. TCMSP is freely available at http://sm.nwsuaf.edu.cn/lsp/tcmsp.php. It contains over 84,260 compound-target pairs and 2,387 target-disease pairs. The database includes tools for visualization and analysis of TCM results on the network level, enabling systematic and multi-target drug discovery. It can lead to a new generation of candidates with improved physicochemical and pharmacokinetic properties, and reveal unexpected associations, furthering the understanding of the mechanisms of diverse interactions and potentially indicating novel treatments.
TCMSP is a powerful knowledge repository and analysis platform for chemists, biologists, and pharmacologists. It provides information on the ability of herbs to overcome biological barriers and their associated drug targets. The key techniques in the TCMSP platform have been successfully applied to explore the mechanisms of action of herbal medicines and TCM formula in the treatment of cardiovascular diseases and virus diseases. For instance, with this model, two representative herbs Lonicera japonica and Fructus Forsythiae were analyzed regarding their pharmacological effect on influenza, inflammation and other diseases. The Janus-function of these chemical compounds in both herbs was uncovered: directly inhibiting virus replications and simultaneously promoting host immune response.
The selection of those compound formula, or fufang, is based on the holistic philosophy of traditional Chinese medicine and follows traditional TCM theory. However, the molecular basis of these basic theory and the mechanisms of action are still a mystery. Our previous research shows that systems pharmacology-based study of TCM may open up the possibility to understand the TCM theory in the context of a molecular network. For example, we have applied systems pharmacology to dissect the rule of drug combination for TCM, which is exemplified by Ma huang Decoction (also known as Ephedra Decoction, MHD). For the first time, by this methodology, we have revealed the chemical features of the qi-enriching and blood-tonifying compounds, and have uncovered the targets, leading to the deep understanding of the nature of qi-blood theory.
In a case study of licorice, 69 bioactive compounds of licorice were obtained byTCMSP is a database of systems pharmacology for drug discovery from herbal medicines. It was developed to integrate information on pharmacochemistry, ADME properties, drug-likeness, drug targets, associated diseases, and interaction networks. The database includes 499 Chinese herbs registered in the Chinese pharmacopoeia, with 29,384 ingredients, 3,311 targets, and 837 associated diseases. It provides twelve important ADME-related properties for drug screening and evaluation, and allows users to view and analyze drug action mechanisms through compound-target and target-disease networks.
The database is designed to support the development of herbal medicines and promote integration between modern and traditional medicine for drug discovery and development. TCMSP is freely available at http://sm.nwsuaf.edu.cn/lsp/tcmsp.php. It contains over 84,260 compound-target pairs and 2,387 target-disease pairs. The database includes tools for visualization and analysis of TCM results on the network level, enabling systematic and multi-target drug discovery. It can lead to a new generation of candidates with improved physicochemical and pharmacokinetic properties, and reveal unexpected associations, furthering the understanding of the mechanisms of diverse interactions and potentially indicating novel treatments.
TCMSP is a powerful knowledge repository and analysis platform for chemists, biologists, and pharmacologists. It provides information on the ability of herbs to overcome biological barriers and their associated drug targets. The key techniques in the TCMSP platform have been successfully applied to explore the mechanisms of action of herbal medicines and TCM formula in the treatment of cardiovascular diseases and virus diseases. For instance, with this model, two representative herbs Lonicera japonica and Fructus Forsythiae were analyzed regarding their pharmacological effect on influenza, inflammation and other diseases. The Janus-function of these chemical compounds in both herbs was uncovered: directly inhibiting virus replications and simultaneously promoting host immune response.
The selection of those compound formula, or fufang, is based on the holistic philosophy of traditional Chinese medicine and follows traditional TCM theory. However, the molecular basis of these basic theory and the mechanisms of action are still a mystery. Our previous research shows that systems pharmacology-based study of TCM may open up the possibility to understand the TCM theory in the context of a molecular network. For example, we have applied systems pharmacology to dissect the rule of drug combination for TCM, which is exemplified by Ma huang Decoction (also known as Ephedra Decoction, MHD). For the first time, by this methodology, we have revealed the chemical features of the qi-enriching and blood-tonifying compounds, and have uncovered the targets, leading to the deep understanding of the nature of qi-blood theory.
In a case study of licorice, 69 bioactive compounds of licorice were obtained by