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Cover Picture: Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off‐Target Effects from Chemical Structure (ChemMedChem 6/2007)
Author(s) -
Bender Andreas,
Scheiber Josef,
Glick Meir,
Davies John W.,
Azzaoui Kamal,
Hamon Jacques,
Urban Laszlo,
Whitebread Steven,
Jenkins Jeremy L.
Publication year - 2007
Publication title -
chemmedchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200790016
Subject(s) - drug reaction , cover (algebra) , profiling (computer programming) , computational biology , drug , cerivastatin , adverse effect , statin , drug discovery , adverse drug reaction , systems pharmacology , computer science , pharmacology , medicine , chemistry , bioinformatics , biology , engineering , mechanical engineering , pravastatin , cholesterol , operating system
The cover picture shows the relation of a chemical structure (here the statin Cerivastatin) to a protein target and phenotypic observations (symbolized by a human). Statistical models for both links can be applied independently, predicting target activity and adverse reactions. Furthermore, they can also be linked, giving clues as to which targets are associated with particular adverse reactions. This knowledge can be used for optimizing panels used in preclinical profiling (where targets selected are those which give the most information about adverse reactions of particular concern); in the long run, those models will also facilitate more efficient progression of promising compounds into the clinic. For details, see the Full Paper by A. Bender et al. on p. 861 ff. (Cover design by Alan Abrams, Novartis.)