Mapping drug-target interaction networks

Longzhang Tian, Shuxing Zhang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

8 Scopus citations

Abstract

Molecular polypharmacological studies have gained more and more attention as they are important in predicting drug off-target properties and potential toxicity/side effect. The explosive growth of biomedical data provides us an opportunity to develop novel strategies to conduct such studies by analyzing molecular interaction networks. In this paper, we present an integrated web application that is implemented based on more than 5,000 drugs and 56,000 biological macromolecule structures. With efficient search of drug information (biological targets, pharmacology, side effect, etc.) and chemical similarity, molecular maps can be constructed to demonstrate the relationships among multiple drugs and receptors. In addition, receptor information can also be employed to map the interaction network. The 3D structures of available drug-receptor complexes can be visualized via our web server, and the query results will be used to identify similar structures for any given drugs as well as their cross interactions with other biological targets. Our implementation provides an efficient way to evaluate the safety and polypharmacological properties of chemical compounds.

Original languageEnglish (US)
Title of host publicationProceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society
Subtitle of host publicationEngineering the Future of Biomedicine, EMBC 2009
PublisherIEEE Computer Society
Pages2336-2339
Number of pages4
ISBN (Print)9781424432967
DOIs
StatePublished - 2009
Event31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009 - Minneapolis, MN, United States
Duration: Sep 2 2009Sep 6 2009

Publication series

NameProceedings of the 31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009

Other

Other31st Annual International Conference of the IEEE Engineering in Medicine and Biology Society: Engineering the Future of Biomedicine, EMBC 2009
Country/TerritoryUnited States
CityMinneapolis, MN
Period9/2/099/6/09

ASJC Scopus subject areas

  • Cell Biology
  • Developmental Biology
  • Biomedical Engineering
  • General Medicine

Fingerprint

Dive into the research topics of 'Mapping drug-target interaction networks'. Together they form a unique fingerprint.

Cite this