EATRIS European Advanced Translational Research Infrastructure in Medicine. 2
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1 EATRIS European Advanced Translational Research Infrastructure in Medicine NCMM - Centre for Molecular Medicine Norway
2 EATRIS i Norge Nasjonal styringsgruppe
3 European Infrastructure of Open Screening Platforms for Chemical Biology EU-OPENSCREEN Executive Summary February 2013 Chemical Biology MISSION Investigation of biological systems using chemical tools EU-OPENSCREEN s objective is the development of novel research tool compounds for all fields of the Life Sciences. Tool compounds enable researchers to investigate molecular mechanisms of physiological and pathological processes, many of which can only be studied with these chemical tools. Chemical tools complement methods of molecular biology, such as mutagenesis or RNA interference. All generated tools and data will be made publically available to the scientific community. Chemical keys for life s locks Example: HZI/F. Sasse X Chemical compounds, such as this small molecule, can bind to cellular structures (e.g. proteins) and modulate their functions. (Application in cancer treatment) 01/12/2014 EU-OPENSCREEN Executive Summary Page 16 February 2013 STRATEGY EU-OPENSCREEN complements existing resources and supports all stages of the tool development project in an open RI for external researchers. Chemical Space LOPAC & ACL & NIH & FMP 17/20T Chemistry Compounds User meets Biology Assays & Targets User Activity profiles Compound Collection EU-OPENSCREEN-ERIC Database Tool compounds Project Management Training & Education Service contract Partner Sites Adapted from Lipinski and Hopkins (2004) 432, Screening Technology Compound Profiling Chemistry Services Compound Management EU-OPENSCREEN Executive Summary Page 17 February
4 PROJECT PARTNERS EU-OPENSCREEN builds on national networks in 16 European countries. NOR-OPENSCREEN Swedish Chemical Biology Consortium Drug Discovery and Chemical Biology network Finnland Danish Chemical Biology Initiative Dutch Chemical Library Program ChemBioNet Germany POL-OPENSCREEN CZ-OPENSCREEN and Czech ChemGen Austrian PLACEBO Spanish ChemBioBank French Chimothèque Nationale, PCBIS platform, FR-OPENSCREEN Romanian Chemical Biology Net Flemish Network on Chemical Biology Collezione Nazionale dei Composti Chimici e Centro Screening Current partners Associated members Coordination Centre at FMP Berlin EU-OPENSCREEN Executive Summary Page 19 February 2013 DRAFT EU-OPENSCREEN Business Plan Amsterdam, 20 November 2012 Openscreen.no Marbio SINTEF NOR-OPENSCREEN/ ChemBioNet Norway The Norwegian Chemical Biology Network, NOR-OPENSCREEN, is coordinated from UiO and includes units in Bergen, Trondheim and Tromsø: University of Oslo: BiO & Chemical Synthesis and Medicinal Chemistry Group University of Bergen: Institute of Biomedicine SINTEF Materials and Chemistry Marbio/University of Tromsø: Polar Marine Bioprospecting Platform UiB UiO/BiO UiO/F. Saggio BiO/NOR-OPENSCREEN is the Norwegian partner in 01/12/2014 Chemical Biology Biotechnology Centre Platform overview The Chemical Biology High Throughput Screening platform was established in 2008 as a service based facility Permanent staff with continuous, solid competence in the field of chemical biology including HTS, assay development and robotics/automatisation The facility is equipped with state-of-the-art automated screening instrumentation designed for Chemical Biology screening and to be used for both biochemical and cell based screening activities The platform is part of the EU-OPENSCREEN, the European Infrastructure of Open Screening Platforms for Chemical Biology Strong Nordic collaboration 4
5 Available a wide range of assays/ detection technologies In most cases user has developed an assay which has to be transferred to the platform. Examples of some assays/detection technologies Competence Technology Chemical Resources AlphaScreen/AlphaLISA Enzymatic assays (absorbance/fluorescence readout) Fluoresence polarization Viability/cytotoxisity/apoptosis Calcium measurements/flipr Cell based assay-intracellular flow cytometry Detection platform Screening formats 96 well plate 384 well plate 1536 well plate Envision plate reader Filter and monochromator based detection, stacker, reagent injector for biochemical and cell based assays. 12/1/2014 BIACORE T100 surface plasmon resonance based biosensor. Label free detection of interactions in real time. Molecular Devices FLIPR 384 Fluorometric Imaging Plate Reader for simultaneous liquid transfer kinetic reading in 384-well plates. Cell based calcium, membrane potential and ion channel assays. Reduce costs Use less reagents Faster throughput Less optimization than 1536 WORKFLOW WORKFLOW 384 assay plates Compound administration Adding assay reagents or cells to compounds 384 assay plates Compound administration Adding assay reagents or cells to compounds 384 compound plate 384 compound plate Data output Detection readout Incubation Data output Detection readout Incubation Data analysis Data analysis 5
6 Echo Liquid Handler for Screening and OMICS -move liquid with sound BiO chemical compound library Sound waves eject precisely-sized droplets (2.5 nl) from the source liquid into a microplate. does not use tips or nozzles completely eliminating contact between the instrument and the liquid Produce better-quality data, reduce costs and reagents for sample management and high-throughput plate preparation. Enable transfer of chemical compounds, cdna, sirna vectors, AlphaLISA beads, proteins/ab and crystallography reagents. ChemBioNet ( compounds) Lopac (Library of Pharmacologically Active Compounds, 1280 compounds) ) Prestwick (FDA approved, off-patent, 1280 compounds) Expansion with new compound collections (Enamine selection of compounds + Chembridge selection of compounds) Diversity library of small moelcules collection General purpose library for a broad range of targets Enriched for Potentially Bioactive Scaffolds Exhibit a high degree of chemical diversity ChemBioNet ( cmpds) Enamine ( cmpds) Chembridge ( cmpds) Target and Pathway specific collections Bioactive compound library (1650 cmpds, Selleck Chem) Tocriscreen Mini, selection of biologically active compounds (1120 cmpds, Tocris) Target and Pathway Libraries (477 cmpds, Enzo) Oncology collections Cambridge Cancer Compound Library (384 cmpds, Selleck Chem) Access to FIMM collection of anti-cancer drugs 12/1/2014 Lopac 1280 The Prestwick Chemical Library Library of 1,280 pharmacologically active compounds Well-characterized, high-purity compounds Represents all major target classes 1,200 small molecules, 100% marketed offpatent drugs Greatest possible degree of drug-likeness no strings attached compounds Compounds selected for: high chemical diversity high pharmacological diversity known bioavailability safety in humans 12/1/2014 6
7 Lopac and Prestwick: New uses for existing drugs Project design Project flow Used for Assay validation Hit finding Drug repositioning Drug sensitivity screen Start of new optimization program Assay development User/Project owner Rescreen of hit HTS screen compounds Chemical Biology Platform Characterisation of hits Secondary screen User/Project owner Hit-to-lead Lead phase optimization Medicinal Chemistry New or additional value is generated from a drug by targeting diseases other than those for which it was originally intended. Project design Project flow Targeting protein protein interactions (PPI) Assay development User/Project owner Rescreen of hit HTS screen compounds Chemical Biology Platform Characterisation of hits Secondary screen User/Project owner Hit-to-lead Lead phase optimization Medicinal Chemistry Contact surfaces of PPI are mostly large and flat - contain no well defined pockets for binding of small molecules. Hotspots subsets of residues that contribute most of the free energy upon binding to a protein partner or a small moelcule Many PPI recognise an α-helix develop small molecules with helical mimetic scaffolds Generally PPI inhibitors tend to be larger in Mw and more rigid than a "typical drug" Assay development The principle of AlphaScreen Large amount of soluble recombinant protein with different tags Test different protein combinations, swap tags Obtain a robust assay with robust signal to background ratios Titre down bead amount and volume to reduce costs Transfer the bench top assay to the automated liquid handling platform 7
8 %PTZ-induced activity time (min) PTZ VHC 1 mm valproate The principle of AlphaScreen HTS screening (AlphaScreen) Library: ChemBioNet, compounds Read Incubate Output Data analysis 12/1/2014 FLIPR 384 Fluorometric Imaging Plate Reader Cell-based assays of receptor/ion channel-mediated signaling processes Measuring membrane potential changes Evaluating changes in intracellular calcium Real-time analysis of whole-cell signaling events A B C D E F Zebrafish: a novel way of "fishing" Vertebrate model with fully sequenced, annotated genome Strong genetic, physiological and pharmacological similarity to humans High fecundity and small size (96-well format) G H I Simultaneous fluid dispensing in 384 well plate Simultaneous measurements in 384 well plate J K L M N O P Rapid development ex utero Optical transparency (non-invasive imaging) Range = ( -3000, ) Only mg amounts of compounds needed; readily absorbed (skin, GI tract, gills) Mini Graphs Chemical Neuroscience BiO Chemical Neuroscience Program Develop new disease models in zebrafish for neurological disorders (current focus, epilepsy) to create: genetic epilepsy models provide functional genomics data to systems biology projects chemically-induced seizure models Disease Models Compound libraries Lead Optimization & Target Identification Chemical synthesis Affinity Chromatography Chemoinformatics Pharmacology Pharmacokinetics Electrophysiology Use chemical biology in zebrafish to elucidate the molecular mechanisms involved in epilepsy to identify: therapeutic targets therapeutic molecules pharmacological tools OR Bioassays *** ** * Toxicity Mammalian Assays 8
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