NDLI: Mapping drug-target interaction networks

Content Provider	IEEE Xplore Digital Library
Author	Longzhang Tian Shuxing Zhang
Copyright Year	2009
Description	Author affiliation: M.D. Anderson Cancer Center, Houston, TX 77030 USA (Longzhang Tian; Shuxing Zhang)
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.
Starting Page	2336
Ending Page	2339
File Size	1132982
Page Count	4
File Format	PDF
ISBN	9781424432967
ISSN	1557170X
DOI	10.1109/IEMBS.2009.5335053
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2009-09-03
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Drugs Databases Cancer Proteins Chemical compounds Inhibitors Bioinformatics Probes USA Councils Explosives
Content Type	Text
Resource Type	Article
Subject	Signal Processing Biomedical Engineering Health Informatics Computer Vision and Pattern Recognition

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4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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