Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space.

摘要: Chemogenomic approaches, which link ligand chemistry to bioactivity against targets (and, by extension, phenotypes) are becoming more and important due the increasing number of data available both in proprietary databases as well public domain. In this article we review chemogenomics approaches applied four different domains: Firstly, relationship between protein from an approximate relation their respective bioactive ligands can be inferred, investigate extent receptor deorphanization. case it was found that using knowledge about active compounds related proteins, 93% all cases enrichment better than random could obtained. Secondly, analyze chemin-formatics analysis methods with respect behavior studies, such subgraph mining Baye-sian models. Thirdly, illustrate how chemogenomics, its particular flavor 'proteochemometrics', extrapolate predictions given points targets. Finally, extend concept 'chemoge-nomics' relating targets, into phenotypic space then falls area 'chemical genomics' genetics'; is very often desired endpoint not only pharmaceutical industry, but also academic probe discovery, experimental scientist most interested in. © 2011 Bentham Science Publishers.