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
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.
Please note that most posters on this site present work that is preliminary in nature and has not been peer reviewed.
This poster is open access subject to the CC BY-NC Creative Commons 3.0 License