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REVIEWS KEYNOTE 116 Mechanistic systems modeling to guide drug discovery and development Brian J. Schmidt, Jason A. Papin and Cynthia J. Musante 128 Emergence of zebrafish models in oncology for validating novel anticancer drug targets and nanomaterials Murielle Mimeault and Surinder K. Batra INFORMATICS 141 A chemistry wiki to facilitate and enhance compound design in drug discovery Graeme R. Robb, Darren McKerrecher, Nicholas J. Newcombe and Mike J. Waring POST SCREEN 148 Practical purification of hydrophilic fragments and lead/drug-like molecules by reverse phase flash chromatography: tips, tricks and contemporary developments Andrew N. Hobbs and Robert J. Young 155 Biomarkers of Parkinson’s disease: current status and future perspectives Jian Wang, Jake G. Hoekstra, Chuantao Zuo, Travis J. Cook and Jing Zhang 163 Orphan drugs: the regulatory environment Pedro Franco 173 PET and SPECT tracers for glutamate receptors Vattoly J. Majo, Jaya Prabhakaran, J. John Mann and J.S. Dileep Kumar 185 Imaging in the cardiovascular and metabolic disease area Robert A. Comley and David Kallend 193 Low-dose metronomic chemotherapy: from past experience to new paradigms in the treatment of cancer David Loven, Erez Hasnis, Francesco Bertolini and Yuval Shaked 202 Something’s got to give: psychiatric disease on the rise and novel drug development on the decline Daniel J. Chandler CONTENTS 1 February 2013 Volume 18 Numbers 3/4 pp. 107–208 Cover Story The leading story of this issue of Drug Discovery Today focuses on large mechanistic models of biological systems, especially those with applications in drug development. They explain that such approaches have demonstrated value to industrial research programs, and they posit that they will become an integral component of research practice as the pharmaceutical industry transitions to increasing utilization of computational approaches as a component of an evolving research paradigm.

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REVIEWS

KEYNOTE

116 Mechanistic systems modeling to guide drug discovery and developmentBrian J. Schmidt, Jason A. Papin and Cynthia J. Musante

128 Emergence of zebrafi sh models in oncology for validating novel anticancer drug targets and nanomaterialsMurielle Mimeault and Surinder K. Batra

INFORMATICS

141 A chemistry wiki to facilitate and enhance compound design in drug discoveryGraeme R. Robb, Darren McKerrecher, Nicholas J. Newcombe and Mike J. Waring

POST SCREEN

148 Practical purifi cation of hydrophilic fragments and lead/drug-like molecules by reverse phase fl ash chromatography: tips, tricks and contemporary developmentsAndrew N. Hobbs and Robert J. Young

155 Biomarkers of Parkinson’s disease: current status and future perspectivesJian Wang, Jake G. Hoekstra, Chuantao Zuo, Travis J. Cook and Jing Zhang

163 Orphan drugs: the regulatory environmentPedro Franco

173 PET and SPECT tracers for glutamate receptorsVattoly J. Majo, Jaya Prabhakaran, J. John Mann and J.S. Dileep Kumar

185 Imaging in the cardiovascular and metabolic disease areaRobert A. Comley and David Kallend

193 Low-dose metronomic chemotherapy: from past experience to new paradigms in the treatment of cancerDavid Loven, Erez Hasnis, Francesco Bertolini and Yuval Shaked

202 Something’s got to give: psychiatric disease on the rise and novel drug development on the declineDaniel J. Chandler

CONTENTS 1

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February 2013 Volume 18 Numbers 3/4 pp. 107 – 208

Cover StoryThe leading story of this issue of Drug Discovery Today focuses on large mechanistic models of biological systems, especially those with applications in drug development. They explain that such approaches have demonstrated value to industrial research programs, and they posit that they will become an integral component of research practice as the pharmaceutical industry transitions to increasing utilization of computational approaches as a component of an evolving research paradigm.