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1] Keiser et al. Nat. Biotechnol. 25 (2007) 197-206 [2] Keiser et al. Nature 462 (2009) 175-181 [3] Areias et al. Bioorg. Med. Chem. 18 (2010) 3043-3052 [4] Vidal and Mestres. Mol. Inf. J. Schleifer BASF SE, Ludwigshafen, Germany Design of active ingredients is a multidimensional task. Sufficient target activity in combination with high bioavailability and no (or at least low) toxicological behaviour are prerequisites for promising candidates. In this respect, pharmaceutical and agrochemical companies need to address the same issues.

G. g. cholinergic, prostanoid modulators). While instrumental to get insights into the design strategies of GPCRs modulators, this work provides novel clues on the molecular mechanisms that may underlie the modulation of this class of receptors. References 1. , Groom CR. The druggable genome. Nat Rev Drug Discov. 2002, 1, 727-30. 2. , Hopkins A. Navigating chemical space for biology and medicine. Nature, 2004, 432, 855-861. 3. Bleicher K. , Bohm H. , Muller, K. & Alanine, A. I. Hit and lead generation: beyond high-throughput screening.

50 18th European Symposium on Quantitative Structure-Activity Relationships KEY NOTE LECTURE 6 COMPUTER-AIDED DRUG REPURPOSING Tudor Oprea University of New Mexico, School of Medicine, New Mexico, USA The emergent sector of academic drug discovery encompasses basic sciences, translational medicine and drug repurposing (or repositioning). Finding new uses for old drugs is a viable strategy, already embraced by the pharmaceutical industry. Current drug repurposing efforts focus on identifying novel modes of action, but not in a systematic manner.

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