Bioinformatics, small molecule drug

Xiong, B., Liu, K., Wu, J., et al. 2008. DrugViz A Cytoscape plugin for visualizing and analyzing small molecule drugs in biological networks. Bioinformatics 24 2117-2118. 

David, G. (2005) Covell Linking tumor cell cytotoxicity to mechanism of drug action An integrated analysis of gene expression, small-molecule screening and structural databases. Proteins Structure, Function, and Bioinformatics, 59 (3), 403-433. 

The terms bioinformatics and cheminformatics refer to the use of computational methods in the study of biology and chemistry. Information from DNA or protein sequences, protein structure, and chemical structure is used to build models of biochemical systems or models of the interaction of a biochemical system with a small molecule (e.g., a drug). There are mathematical and statistical methods for analysis, public databases, and literature associated with each of these disciplines. However, there is substantial value in considering the interaction between these areas and in building computational models that integrate data from both sources. In the most... 

The drug target universe expands considerably if we expand our analysis to include biological targets for which medicinal chemists have developed small-molecule leads. Unlike the bioinformatics community which has developed a wealth of public databases to assemble and disseminate protein and genomic sequences, medicinal chemistry structure-activity relationship (SAR) data is... 

To support drug discovery efficiently, the biological information derived in bioinformatics needs to be combined with chemical data in order to facilitate the identification of lead structures and the development of small molecules as active pharmaceuticals. To this end, different databases need to be brought together for the integration of disparate re-sults.t ... 

Chen J, Swamidass SJ, Dou Y, Bruand J, Baldi P (2005) ChemBD a public database of small molecules and related chemoinformatics resources. Bioinformatics 21 4133-4139 DrugBank http //www.drugbank.ca. Accessed 1 Feb 2014 WOMBAT http //www.sunsetmolecular.com/. Accessed 1 Feb 2014 MDDR http //accelrys.com/products/databases/bioactivity/mddr.html. Accessed 1 Feb 2014 Scior JT, Bernard P, Medina-Franco JL, Maggiora GM (2007) Large compound databases for structure-activity relationships studies in drug discovery. Mini Rev Med Chem 7 851-860 Leach AR, Gillet VJ (2003) An introduction to chemoinformatics. Kluwer Academic, Dordrecht... 

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