PUBLICATION
Inflammatory pathway network-based drug repositioning and molecular phenomics
- Authors
- Gu, J., Crosier, P.S., Hall, C.J., Chen, L., Xu, X.
- ID
- ZDB-PUB-170726-26
- Date
- 2016
- Source
- Molecular Biosystems 12: 2777-84 (Journal)
- Registered Authors
- Crosier, Phil, Hall, Chris
- Keywords
- none
- MeSH Terms
-
- Protein Binding
- Drug Discovery*/methods
- Ligands
- Drug Repositioning*
- Cluster Analysis
- Algorithms
- Humans
- Neutrophils/drug effects
- Neutrophils/immunology
- Neutrophils/metabolism
- Zebrafish
- Animals
- Anti-Inflammatory Agents/chemistry*
- Anti-Inflammatory Agents/pharmacology*
- Molecular Docking Simulation
- Molecular Conformation
- Inflammation/immunology
- Inflammation/metabolism*
- Lethal Dose 50
- Molecular Dynamics Simulation
- Biomarkers
- Signal Transduction/drug effects*
- Protein Interaction Maps
- PubMed
- 27345454 Full text @ Mol. Biosyst.
Citation
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.
Abstract
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
Expression
Phenotype
Mutations / Transgenics
Human Disease / Model
Sequence Targeting Reagents
Fish
Orthology
Engineered Foreign Genes
Mapping