Inflammatory pathway network-based drug repositioning and molecular phenomics
- Gu, J., Crosier, P.S., Hall, C.J., Chen, L., Xu, X.
- Molecular Biosystems 12: 2777-84 (Journal)
- Registered Authors
- Crosier, Phil, Hall, Chris
- MeSH Terms
- Anti-Inflammatory Agents/chemistry*
- Anti-Inflammatory Agents/pharmacology*
- Cluster Analysis
- Drug Discovery*/methods
- Drug Repositioning*
- Lethal Dose 50
- Molecular Conformation
- Molecular Docking Simulation
- Molecular Dynamics Simulation
- Neutrophils/drug effects
- Protein Binding
- Protein Interaction Maps
- Signal Transduction/drug effects*
- 27345454 Full text @ Mol. Biosyst.
Gu, J., Crosier, P.S., Hall, C.J., Chen, L., Xu, X. (2016) Inflammatory pathway network-based drug repositioning and molecular phenomics. Molecular Biosystems. 12:2777-84.
Inflammation is a protective biological response to body/tissue damage that involves immune cells, blood vessels and molecular mediators. In this work, we constructed the pathway network of inflammation, including 11 sub-pathways of inflammatory factors. Pathway-based network efficiency and network flux were adopted to evaluate drug efficacy. By using approved and experimentally validated anti-inflammatory drugs as training sets, a predictive model was built to screen potential anti-inflammatory drugs from approved drugs in DrugBank. This drug repositioning approach would bring a fast and cheap way to find new indications for approved drugs. Moreover, molecular phenomics profiles of the expression of inflammatory factors will provide new insight into the drug mechanism of action.
Genes / Markers
Mutation and Transgenics
Human Disease / Model Data
Sequence Targeting Reagents
Engineered Foreign Genes
Errata and Notes