Contrôle qualité des chimiothèques

Jean-Luc Galzi; Fiorella Ruggiu; Patrick Gizzi; Bruno Didier

doi:10.1051/medsci/20153106020

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Volume 31 / Numéro 6-7 (Juin–Juillet 2015)

Med Sci (Paris), 31 6-7 (2015) 660-666

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Chémobiologie

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Numéro		Med Sci (Paris) Volume 31, Numéro 6-7, Juin–Juillet 2015 Chémobiologie


Page(s)		660 - 666
Section		M/S Revues
DOI		https://doi.org/10.1051/medsci/20153106020
Publié en ligne		7 juillet 2015

Lindh M, Svensson F, Schaal W, et al. Toward a benchmarking data set able to evaluate ligand- and structure-based virtual screening using public HTS data. J Chem Inf Model 2015 ; 55 : 343–353. [CrossRef] [PubMed] [Google Scholar]
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Klaus A.. On-line LC-NMR and related techniques. Chichester : Wiley, 2002 : 290 p. [Google Scholar]
Semin D, Malone T, Paley M, Woods P. Novel approach to determine water content in DMSO for a compound collection. J Biomol Screen 2005 ; 10 : 568–572. [CrossRef] [PubMed] [Google Scholar]
Engeloch C, Schopfer U, Muckenschnabel I, et al. Stability of screening compounds in wet DMSO. J Biomol Screen 2008 ; 13 : 999–1006. [CrossRef] [PubMed] [Google Scholar]
Mahuteau-Betzer F. Chimiothèque Nationale. Med Sci (Paris) 2015 ; 31 : 417–422. [CrossRef] [EDP Sciences] [PubMed] [Google Scholar]
Spelman K, Duke JA, Bogenschutz-Godwin MJ. The synergy principle at work with plants, pathogens, insects, herbivores and humans. In : Natural products from plants. Boca Raton : CRC Taylor and Francis, 2006 : 475–501. [Google Scholar]
Davies S, Serradell N, Bolos J, Bayes M. Plerixafor hydrochloride. Drugs Future 2007 ; 32 : 123–136. [CrossRef] [Google Scholar]
CHMP assesment for Mozobil. European Medicines Agency 2009 : procedure No. EMEA/H/C/001030. [Google Scholar]
Cruciani G, Milletti F, Storchi L, Sforna G, et al. In silico pKa prediction and ADME profiling. Chem Biodivers 2009 ; 6 : 1812–1821. [CrossRef] [PubMed] [Google Scholar]
McGovern S, Caselli E, Grigorieff N, Schoichet B. A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 2002 ; 45 : 1712–1722. [CrossRef] [PubMed] [Google Scholar]
Van de Waterbeemd H, Lennernäs H, Artursson P. High throughput measurement of logD and pKa. In : Methods and principles in medicinal chemistry. Weinheim : Wiley, 2003 : 21–45. [Google Scholar]

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[1] Lindh M, Svensson F, Schaal W, et al. Toward a benchmarking data set able to evaluate ligand- and structure-based virtual screening using public HTS data. J Chem Inf Model 2015 ; 55 : 343–353. [CrossRef] [PubMed] [Google Scholar]

[2] Baell J, Walters M. Chemical con artists foil drug discovery. Nature 2014 ; 513 : 481–483. [CrossRef] [PubMed] [Google Scholar]

[3] Rognan D, Bonnet P. Les chimiothèques et le criblage virtuel. Med Sci (Paris) 2014 ; 30 : 1152–1160. [CrossRef] [EDP Sciences] [PubMed] [Google Scholar]

[4] Ruggiu F, Gizzi P, Galzi JL, Hibert M, et al. Quantitative structure–property relationship modeling: a valuable support in high-throughput screening quality control. Anal Chem 2014 ; 86 : 2510–2520. [CrossRef] [PubMed] [Google Scholar]

[5] Klaus A.. On-line LC-NMR and related techniques. Chichester : Wiley, 2002 : 290 p. [Google Scholar]

[6] Semin D, Malone T, Paley M, Woods P. Novel approach to determine water content in DMSO for a compound collection. J Biomol Screen 2005 ; 10 : 568–572. [CrossRef] [PubMed] [Google Scholar]

[7] Engeloch C, Schopfer U, Muckenschnabel I, et al. Stability of screening compounds in wet DMSO. J Biomol Screen 2008 ; 13 : 999–1006. [CrossRef] [PubMed] [Google Scholar]

[8] Mahuteau-Betzer F. Chimiothèque Nationale. Med Sci (Paris) 2015 ; 31 : 417–422. [CrossRef] [EDP Sciences] [PubMed] [Google Scholar]

[9] Spelman K, Duke JA, Bogenschutz-Godwin MJ. The synergy principle at work with plants, pathogens, insects, herbivores and humans. In : Natural products from plants. Boca Raton : CRC Taylor and Francis, 2006 : 475–501. [Google Scholar]

[10] Davies S, Serradell N, Bolos J, Bayes M. Plerixafor hydrochloride. Drugs Future 2007 ; 32 : 123–136. [CrossRef] [Google Scholar]

[11] CHMP assesment for Mozobil. European Medicines Agency 2009 : procedure No. EMEA/H/C/001030. [Google Scholar]

[12] Cruciani G, Milletti F, Storchi L, Sforna G, et al. In silico pKa prediction and ADME profiling. Chem Biodivers 2009 ; 6 : 1812–1821. [CrossRef] [PubMed] [Google Scholar]

[13] McGovern S, Caselli E, Grigorieff N, Schoichet B. A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 2002 ; 45 : 1712–1722. [CrossRef] [PubMed] [Google Scholar]

[14] Van de Waterbeemd H, Lennernäs H, Artursson P. High throughput measurement of logD and pKa. In : Methods and principles in medicinal chemistry. Weinheim : Wiley, 2003 : 21–45. [Google Scholar]