Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective.
作者： Anna Karawajczyk , Fabrizio Giordanetto , Jorg Benningshof , Daniel Hamza , Tuomo Kalliokoski
DOI: 10.1016/J.DRUDIS.2015.09.009
关键词:
摘要: High-throughput screening (HTS) represents a major cornerstone of drug discovery. The availability an innovative, relevant and high-quality compound collection to be screened often dictates the final fate discovery campaign. Given that chemical space sampled in research programs is practically infinite sparsely populated, significant efforts resources need invested generation maintenance competitive collection. European Lead Factory (ELF) project addressing this challenge by leveraging diverse experience know-how academic groups small medium enterprises (SMEs) engaged synthetic and/or medicinal chemistry. Here, we describe novelty, diversity, structural complexity, physicochemical characteristics overall attractiveness first batch ELF compounds for HTS purposes.
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Andrew Nortcliffe, Christopher J. Moody, Seven-membered ring scaffolds for drug discovery: Access to functionalised azepanes and oxepanes through diazocarbonyl chemistry. Bioorganic & Medicinal Chemistry. ,vol. 23, pp. 2730- 2735 ,(2015) , 10.1016/J.BMC.2015.01.010
Asher Mullard, 2014 FDA drug approvals Nature Reviews Drug Discovery. ,vol. 14, pp. 77- 81 ,(2015) , 10.1038/NRD4545
Mark J Wigglesworth, David C Murray, Carolyn J Blackett, Michael Kossenjans, J Willem M Nissink, Increasing the delivery of next generation therapeutics from high throughput screening libraries Current Opinion in Chemical Biology. ,vol. 26, pp. 104- 110 ,(2015) , 10.1016/J.CBPA.2015.04.006
Alan H. Lipkus, Qiong Yuan, Karen A. Lucas, Susan A. Funk, William F. Bartelt, Roger J. Schenck, Anthony J. Trippe, Structural diversity of organic chemistry. A scaffold analysis of the CAS Registry. Journal of Organic Chemistry. ,vol. 73, pp. 4443- 4451 ,(2008) , 10.1021/JO8001276
Ferdi van der Pijl, Floris L. van Delft, Floris P.J.T. Rutjes, Synthesis and functionalization of bicyclic N,O-acetal scaffolds from furfural Bioorganic & Medicinal Chemistry. ,vol. 23, pp. 2721- 2729 ,(2015) , 10.1016/J.BMC.2014.12.045
Jérémy Besnard, Philip S. Jones, Andrew L. Hopkins, Andrew D. Pannifer, The Joint European Compound Library: boosting precompetitive research Drug Discovery Today. ,vol. 20, pp. 181- 186 ,(2015) , 10.1016/J.DRUDIS.2014.08.014
Simon J. Teague, Andrew M. Davis, Paul D. Leeson, Tudor Oprea, The Design of Leadlike Combinatorial Libraries Angewandte Chemie International Edition. ,vol. 38, pp. 3743- 3748 ,(1999) , 10.1002/(SICI)1521-3773(19991216)38:24<3743::AID-ANIE3743>3.0.CO;2-U
Ignacio Colomer, Ololade Adeniji, George M. Burslem, Philip Craven, Martin Ohsten Rasmussen, Anthony Willaume, Tuomo Kalliokoski, Richard Foster, Stephen P. Marsden, Adam Nelson, Aminomethylhydroxylation of alkenes: Exploitation in the synthesis of scaffolds for small molecule libraries Bioorganic & Medicinal Chemistry. ,vol. 23, pp. 2736- 2740 ,(2015) , 10.1016/J.BMC.2015.01.058
Nicholas C. Firth, Nathan Brown, Julian Blagg, Plane of best fit: a novel method to characterize the three-dimensionality of molecules. Journal of Chemical Information and Modeling. ,vol. 52, pp. 2516- 2525 ,(2012) , 10.1021/CI300293F
Rico Petersen, A. Emil Cohrt, Michael Åxman Petersen, Peng Wu, Mads H. Clausen, Thomas E. Nielsen, Synthesis of hexahydropyrrolo[2,1-a]isoquinoline compound libraries through a Pictet–Spengler cyclization/metal-catalyzed cross coupling/amidation sequence Bioorganic & Medicinal Chemistry. ,vol. 23, pp. 2646- 2649 ,(2015) , 10.1016/J.BMC.2015.01.039