Small Molecule Chemistry | Bioinformatics | Biomacromolecule-Ligand Interactions | Theory & Simulation | Drug Discovery & Design | Molecular Pharmacology
Chemical-protein interactome (CPI) and its application in drug repositioning and personalized medicine
Lun Yang*, Heng Luo, Kejian Wang, Lin He
*Corresponding author: Lun Yang
Computational Biology, Quantitative Sciences, Alternative Discovery and Development, GlaxoSmithKline, Philadelphia, PA, USA
F1000Posters 2012, 3: 979 (poster) [English]
Poster [1.39 MB] | Resulting articles
Presented at
International Conference on Intelligent Systems for Molecular Biology (ISMB) 2012,
14 - 16 Jul 2012, C04
Identifying new indications for existing drugs (drug repositioning) is an efficient way of maximizing their potential. Adverse drug reaction (ADR) is one of the leading causes of death among hospitalized patients. As both new indications and ADRs are caused by unexpected chemical-protein interactions on off-targets, it is reasonable to predict these interactions by mining the chemical-protein interactome (CPI).
Docking-based chemical-protein interaction profile can be used to explain side effects and therapeutic effects.
Copyrights: Figure 1 was reproduced with kind permission from: Luo H, Chen J et al (2011) Nucleic Acids Res. 39(Web Server issue); W492-8.
Copyrights: Figures 1-5 were reproduced with kind permission from: Yang L, Wang K et al (2011) PLoS Comput Biol. Mar 7(3); e1002016.
No relevant competing interests disclosed.
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