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Kinetics for Drug Discovery: an industry-driven effort to target drug residence time.
Schuetz, Doris A; de Witte, Wilhelmus Egbertus Arnout; Wong, Yin Cheong; Knasmueller, Bernhard; Richter, Lars; Kokh, Daria B; Sadiq, S Kashif; Bosma, Reggie; Nederpelt, Indira; Heitman, Laura H; Segala, Elena; Amaral, Marta; Guo, Dong; Andres, Dorothee; Georgi, Victoria; Stoddart, Leigh A; Hill, Steve; Cooke, Robert M; De Graaf, Chris; Leurs, Rob; Frech, Matthias; Wade, Rebecca C; de Lange, Elizabeth Cunera Maria; IJzerman, Adriaan P; Müller-Fahrnow, Anke; Ecker, Gerhard F.
Afiliación
  • Schuetz DA; Department of Pharmaceutical Chemistry, University of Vienna, UZA 2, Althanstrasse 14, 1090 Vienna, Austria.
  • de Witte WEA; Division of Pharmacology, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC Leiden, The Netherlands.
  • Wong YC; Division of Pharmacology, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC Leiden, The Netherlands.
  • Knasmueller B; Department of Pharmaceutical Chemistry, University of Vienna, UZA 2, Althanstrasse 14, 1090 Vienna, Austria.
  • Richter L; Department of Pharmaceutical Chemistry, University of Vienna, UZA 2, Althanstrasse 14, 1090 Vienna, Austria.
  • Kokh DB; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloß-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany.
  • Sadiq SK; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloß-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany.
  • Bosma R; Department of Chemistry and Pharmaceutical Sciences, Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, P.O. Box 7161, 1007 MC Amsterdam, The Netherlands.
  • Nederpelt I; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, Leiden, Einsteinweg 55, Leiden, 2300RA, The Netherlands.
  • Heitman LH; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, Leiden, Einsteinweg 55, Leiden, 2300RA, The Netherlands.
  • Segala E; Heptares Therapeutics,Biopark, Broadwater Road, Welwyn Garden City, Hertfordshire, AL7 3AX, UK.
  • Amaral M; Discovery Technologies, Merck KGaA, Frankfurter Straße 250, 64293 Darmstadt, Germany; Instituto de Biologia Experimental e Tecnológica, Avenida da República, Estação Agronómica Nacional, 2780-157 Oeiras, Portugal.
  • Guo D; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, Leiden, Einsteinweg 55, Leiden, 2300RA, The Netherlands.
  • Andres D; Bayer AG, Drug Discovery, Pharmaceuticals, Lead Discovery Berlin, Müllerstr. 178, 13353 Berlin, Germany.
  • Georgi V; Bayer AG, Drug Discovery, Pharmaceuticals, Lead Discovery Berlin, Müllerstr. 178, 13353 Berlin, Germany.
  • Stoddart LA; School of Life Sciences, University of Nottingham, Nottingham, NG7 2UH, UK.
  • Hill S; School of Life Sciences, University of Nottingham, Nottingham, NG7 2UH, UK.
  • Cooke RM; Heptares Therapeutics,Biopark, Broadwater Road, Welwyn Garden City, Hertfordshire, AL7 3AX, UK.
  • De Graaf C; Department of Chemistry and Pharmaceutical Sciences, Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, P.O. Box 7161, 1007 MC Amsterdam, The Netherlands.
  • Leurs R; Department of Chemistry and Pharmaceutical Sciences, Division of Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), Vrije Universiteit Amsterdam, P.O. Box 7161, 1007 MC Amsterdam, The Netherlands.
  • Frech M; Discovery Technologies, Merck KGaA, Frankfurter Straße 250, 64293 Darmstadt, Germany.
  • Wade RC; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloß-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany; Zentrum für Molekulare Biologie der Universität Heidelberg, DKFZ-ZMBH Alliance, Im Neuenheimer Feld 280, 69120 Heidelberg, Germany; Interdisciplinary Cent
  • de Lange ECM; Division of Pharmacology, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC Leiden, The Netherlands.
  • IJzerman AP; Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, Leiden, Einsteinweg 55, Leiden, 2300RA, The Netherlands.
  • Müller-Fahrnow A; Bayer AG, Drug Discovery, Pharmaceuticals, Lead Discovery Berlin, Müllerstr. 178, 13353 Berlin, Germany.
  • Ecker GF; Department of Pharmaceutical Chemistry, University of Vienna, UZA 2, Althanstrasse 14, 1090 Vienna, Austria. Electronic address: gerhard.f.ecker@univie.ac.at.
Drug Discov Today ; 22(6): 896-911, 2017 06.
Article en En | MEDLINE | ID: mdl-28412474
ABSTRACT
A considerable number of approved drugs show non-equilibrium binding characteristics, emphasizing the potential role of drug residence times for in vivo efficacy. Therefore, a detailed understanding of the kinetics of association and dissociation of a target-ligand complex might provide crucial insight into the molecular mechanism-of-action of a compound. This deeper understanding will help to improve decision making in drug discovery, thus leading to a better selection of interesting compounds to be profiled further. In this review, we highlight the contributions of the Kinetics for Drug Discovery (K4DD) Consortium, which targets major open questions related to binding kinetics in an industry-driven public-private partnership.
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Preparaciones Farmacéuticas / Descubrimiento de Drogas Tipo de estudio: Prognostic_studies Límite: Animals / Humans Idioma: En Revista: Drug Discov Today Asunto de la revista: FARMACOLOGIA / TERAPIA POR MEDICAMENTOS Año: 2017 Tipo del documento: Article País de afiliación: Austria
Texto completo
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Preparaciones Farmacéuticas / Descubrimiento de Drogas Tipo de estudio: Prognostic_studies Límite: Animals / Humans Idioma: En Revista: Drug Discov Today Asunto de la revista: FARMACOLOGIA / TERAPIA POR MEDICAMENTOS Año: 2017 Tipo del documento: Article País de afiliación: Austria