EFMC-ISMC 2012
Plenary Lectures
 Plenary Lecture
Umpolung and the Art of Innovation
Youssef BENNANI
(VERTEX PHARMACEUTICALS, Laval (Quebec), Canada)

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 Plenary Lecture
The Future of Medicinal Chemistry
Hans-Joachim BÖHM
(HOFFMANN-LA-ROCHE, Basel, Switzerland)

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 Berlin: The Dynamic Science Metropole Responds to Challenges and Opportunities of the 21st Century
Günter STOCK
(HEALTH CAPITAL BERLIN BRANDENBURG, Berlin, Germany)

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 Opening Lecture
Can Structure Lead to Better Antibiotics?
Ada YONATH
(WEIZMANN INSTITUTE OF SCIENCE, Rehovot, Israel)
EFMC Award Lectures
 The Prous Institute-Overton & Meyer Award for New Technologies in Drug Discovery Lecture
Fragment-Based Drug Discovery - a Decade of Thinking Small
Harren JHOTI
(ASTEX PHARMACEUTICALS, Cambridge, United Kingdom)

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 The UCB-Ehrlich Award for Excellence in Medicinal Chemistry Lecture
New Derivatives and Stereoisomers of Fenoterol: a Versatile Tool to Stimulate The B2 Adrenergic Receptor with Novel Therapeutical Perspectives
Krzysztof JOZWIAK
(MEDICAL UNIVERSITY OF LUBLIN, Lublin, Poland)

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 Nauta Award for Pharmacochemistry Lecture
Targeting IRS1/2 and Targeting the Immune System to Eradicate Metastatic Tumors as New Modalities of Cancer Therapy
Alexander LEVITZKI
(HEBREW UNIVERSITY OF JERUSALEM, Jerusalem, Israel)

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Prize Lectures
 EFMC Prize for a Young Medicinal Chemist in Industry
Minimising CNS Side Effects: DMPK Considerations in the design of Drugs with Limited Brain Penetration
Sharan BAGAL
(ASTRAZENECA, Cambridge, United Kingdom)

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 EFMC Prize for a Young Medicinal Chemist in Academia
Developing Inhibitors of the Bromodomain-acetyl-lysine Interaction
Stuart CONWAY
(UNIVERSITY OF OXFORD, Oxford, United Kingdom)

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 IUPAC Richter Prize Lecture
Design and Synthesis of Drug Prototypes Inspired by Natural Products
Stephen HANESSIAN
(UNIVERSITY OF MONTREAL, MONTREAL, QC, Canada)

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 Young Investigator Prize by DPhG and GDCh
Christian OTTMANN
(EINDHOVEN UNIVERSITY OF TECHNOLOGY, Eindhoven, The Netherlands)

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Invited Speakers
 The Discovery and Development of Anacetrapib
Amjad ALI
(MERCK, SHARP & DOHME, Rahway, United States)

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 Fragment-based Discovery of Modulators for PPI and Allosteric Enzymes
Michelle R. ARKIN
(UCSF, San Francisco, United States)

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 Discovery of BAY 94-8862: A non-Steroidal Antagonist of the Mineralocorticoid Receptor for the Treatment of Cardiorenal Diseases
Lars BARFACKER
(BAYER HEALTHCARE, WUPPERTAL, Germany)

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 Computer-assisted Lead Generation: Fact or Fiction
Karl-Heinz BARINGHAUS
(SANOFI-AVENTIS, Frankfurt am Main, Germany)

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 Computational Approaches to Polypharmacology and Mode-of-Action Analysis
Andreas BENDER
(UNIVERSITY OF CAMBRIDGE, Cambridge, United Kingdom)

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 Identification of a New Chemical Class of Potent Antimycobacterial Compounds Derived from BM 212: Design, Synthesis, Biological Evaluation and Study of their Mode of Action
Mariangela BIAVA
(LA SAPIENZA UNIVERSITY OF ROMA, Roma, Italy)

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 Working with Medicinal Chemistry Experts in Academia and Industry to Generate Novel Inhibitors ("probes") for Novel Epigenetic Proteins
Paul BRENNAN
(UNIVERSITY OF OXFORD, Oxford, United Kingdom)
 The Discovery of UCB5857 a Novel and Selective PI3K delta Inhibitor for the Treatment of Inflammatory Disease
Dan BROOKINGS
(UCB, Slough, United Kingdom)

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 GPCR Structure Based Drug Design Using Stabilised Receptors (StaRs)
Giles BROWN
(HEPTARES, Hertfordshire, United Kingdom)

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 Chemical Probes for Epigenetics
Mark BUNNAGE
(PFIZER, Boston, United States)

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 Strategies For The Design and Discovery of Compounds with Directed Against Challenging Targets of HIV-1 Life Cycle
Maria Jose CAMARASA
(CSIC, Madrid, Spain)

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 Frontloading Toxicity Detection in order to Lower Costs and Attrition
Bruce D. CAR
(BMS, Princeton, United States)

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 Discovery of a Novel 2-aminothiazole Derivative (NVP-BYL719) with Potent and Selective PI3Kalpha Inhibitory Activity
Giorgio CARAVATTI
(NOVARTIS, Basel, Switzerland)

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 Realizing the Potential of Antibody-Drug Conjugates for the Treatment of Cancer
Ravi CHARI
(IMMUNOGEN, Waltham, United States)

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 New Phase I Enzymes Involved in Drug Metabolism and Prodrug Activation
BERND CLEMENT
(UNIVERSITY OF KIEL, Kiel, Germany)

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 Small Molecule Control of Intracellular Protein Levels
Craig CREWS
(YALE UNIVERSITY, New Haven, United States)

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 Industrialization of QSAR Model Generation-a Paradigm Shift in Predictive Modeling ?
Andy DAVIS
(ASTRAZENECA, Mölndal, Sweden)
 
Iwan DE ESCH
(VU UNIVERSITY AMSTERDAM, Amsterdam, The Netherlands)

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 Structure-Based Design of Novel Antibiotics for Treating Multidrug-resistant Bacterial Infections
Erin DUFFY
(RIB-X PHARMACEUTICALS, New Haven, United States)

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 Drug Discovery in Neglected Diseases: Challenges and Opportunities
Rich ELLIOTT
(BILL AND MELINDA GATES FOUNDATION, Seattle, United States)

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 Transforming Pharmaceutical Manufacturing: Continuous - The Ultra Lean Way of Manufacturing
James EVANS
(NOVARTIS/MIT CENTER FOR CONTINUOUS MANUFACTURING, Cambridge, United States)

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 Downsizing Proteins: Peptidomimetics Beyond the Rule of Five
David FAIRLIE
(UNIVERSITY OF QUEENSLAND, Brisbane, Australia)

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 From Determinants of Binding to Modulators of Protein-Protein-Interactions
Holger GOHLKE
(HEINRICH-HEINE-UNIVERSITY DÜSSELDORF, Düsseldorf, Germany)

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 Discovery and Optimization of New Benzimidazole and Benzoxazole Pyrimidone PI3KB Inhibitors for the Treatment of PTEN-deficient Cancers
Frank HALLEY
(SANOFI AVENTIS, Vitry-sur-Seine, France)

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 Isoform Selective PDE4B Inhibitors: Testing a Hypothesis for Improved Therapeutic Index
Nicole HAMBLIN
(GLAXO WELLCOME, Stevenage, United Kingdom)

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 From Chromatin Modulation to Drug Discovery : BET Bromodomain and EZH2 Inhibition
Jean-Christophe HARMANGE
(CONSTELLATION PHARMACEUTICALS, Cambridge, United States)

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 The Interface between Academia and Industry – Opportunities for Medicinal Chemists
Torsten HOFFMANN
(F. HOFFMANN-LA ROCHE, Basel, Switzerland)

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 Stem Cells and Small Molecules
Lilian HOOK
(PLASTICELL LTD., London, United Kingdom)

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 Discovery of Chemical Probes for Histone Methyltransferases
Jian JIN
(UNIVERSITY OF NORTH CAROLINA, Chapel Hill, United States)

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 Antitubercular Nitroimidazoles
Takushi KANEKO
(TB ALLIANCE, New York, United States)

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Danijel KIKELJ
(UNIVERSITY OF LJUBLJANA, Ljubljana, Slovenia)

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 Session Chair
Gerhard KLEBE
(PHILIPPS-UNIVERSITY MARBURG, Marburg, Germany)
 API Bioavailability Hurdles - What Formulation Can Do
Peter LANGGUTH
(JOHANNES GUTENBERG UNIVERSITY MAINZ, Mainz, Germany)

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 Ligand Efficiency Metrics: A Cure for Molecular Inflation?
Paul LEESON
(GLAXOSMITHKLINE, United Kingdom)

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 The Role of Passive Diffusion and Carrier-Mediated Transport in the Intestinal Drug Absorption Process
Hans LENNERNAS
(UPPSALA UNIVERSITY, Uppsala, Sweden)

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Alessio LODOLA
(UNIVERSITY OF PARMA, Parma, Italy)

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 Selective Ion Channel Blockers for the Treatment of Atrial Fibrillation
David MADGE
(XENTION, London, United Kingdom)

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 Maximizing Efficacy: How to win the Quest for Highly Potent Drugs
Paul W. MANLEY
(NOVARTIS PHARMA, Basel, Switzerland)

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 Inhibiting Glucose Transport via SGLT Inhibitors - the Next New Diabetes Drug Family?
Michael MARK
(BOEHRINGER INGELHEIM, Biberach, Germany)

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 The Central Valine Concept revealed Indolyl-Imidazole Scaffold as p53-Hdm2 PPI Inhibitors
Keiichi MASUYA
(NOVARTIS, Basel, Switzerland)

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 Development of M1 Allosteric Modulators for the Treatment of CNS Disorders and Improving Cognition
Bruce MELANCON
(VANDERBILT CENTER FOR NEUROSCIENCE DRUG DISCOVERY, Nashville, United States)

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 Predicting the Safety Profile of Bioactive Small Molecules
Jordi MESTRES
(IMIM AND UNIVERSITY POMPEU FABRA, Barcelona, Spain)

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 In vitro – in vivo Extrapolation: Application of in vitro Approaches for Reaction Phenotyping and the Prediction of Metabolic Drug Clearance and Drug-Drug Interaction Potential
John MINERS
(FLINDERS UNIVERSITY SCHOOL OF MEDICINE, Bedford Park, Australia)

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 Medicinal Chemistry Challenges for Kinetoplastid Diseases
Charlie MOWBRAY
(DRUGS FOR NEGLECTED DISEASES INITIATIVE (DNDI), Geneva, Switzerland)

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 Kinase Inhibitors with Pre-engineered Binding Kinetic Signatures
Gerhard MÜLLER
(MERCACHEM, Nijmegen, The Netherlands)

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 Arming Antibodies with Drugs and other Payloads: from the Bench to the Clinic
Dario NERI
(ETH ZÜRICH, Zürich, Switzerland)

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 PF-4958242: A Novel AMPA Positive Allosteric Modulator (PAM) for the Treatment of Cognitive Deficits Associated with Schizophrenia
Christopher O'DONNELL
(PFIZER, New York, United States)
 Small-Molecule Stabilization of 14-3-3 Protein-Protein Interactions: a Feasible Approach in Drug Discovery?
Christian OTTMANN
(EINDHOVEN UNIVERSITY OF TECHNOLOGY, Eindhoven, The Netherlands)

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 The Resurgence of Covalent Drugs
Russell PETTER
(CELGENE AVILOMICS RESEARCH, Bedford, United States)

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 Nanomedicinal Chemistry and Nanotechnology
Maurizio PRATO
(UNIVERSITY OF TRIESTE, Trieste, Italy)

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 Fragment-based Chemical Tools Targeting Proteases and Tyrosine Phosphatases Developed by Dynamic Ligation and Design
Jörg RADEMANN
(UNIVERSTITÄT LEIPZIG, Leipzig, Germany)

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 Importance of Particle Size Control for Poorly Soluble Drugs
Thomas RAMMELOO
(JANSSEN R&D, BEERSE, Belgium)

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 LE, LLE and FBDD
David REES
(ASTEX PHARMACEUTICALS, Cambridge, United Kingdom)

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 Biologics: Future Medicines for Metabolic Diseases?
Cristina RONDINONE
(MEDIMMUNE, Gaithersburg, United States)

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 Stem Cell Chemistry and its Impact in Drug Discovery
Angela RUSSELL
(UNIVERSITY OF OXFORD, Oxford, United Kingdom)

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 Novel Paradigms for GPCR Allosteric Modulator Identification
Stephan SCHANN
(DOMAIN THERAPEUTICS, Strasbourg, France)

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 Structures of Active and Inactive G Protein Coupled Receptors: Implications for the Activation Mechanism and Pharmacology
Gebhard F.X. SCHERTLER
(PAUL SCHERRER INSTITUTE, Villigen, Switzerland)

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 The Discovery and Optimization of a Novel Series of LPA Receptor Antagonists with Efficacy in Multiple Mouse Models of Fibrosis
Jon SEIDERS
(BMS, San Diego, United States)

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 Empowered Antibodies for Cancer Therapy
Peter SENTER
(SEATTLE GENETICS, Bothell, United States)

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 A Major Leap into the Chemical Space of Protein-Protein Interaction Inhibitors
Olivier SPERANDIO
(INSERM, Paris, France)

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 RaPID Discovery of Non-Traditional Peptide Drug Leads
Hiroaki SUGA
(UNIVERSITY OF TOKYO, Tokyo, Japan)

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 Improved Prediction of in vivo Effects by Combining Cheminformatics and Short-term Assay Data
Alexander TROPSHA
(UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, Chapel Hill, United States)

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 Experiences of Fragment-based Drug Discovery
Marcel VERDONK
(ASTEX PHARMACEUTICALS, Cambridge, United Kingdom)

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 Translational Strategies for Identifying Chemically Reactive Metabolites as Cause for Adverse Drug Reactions
Nico VERMEULEN
(LEIDEN/AMSTERDAM CENTER FOR DRUG RESEARCH, Amsterdam, The Netherlands)

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 Polymer-conjugates as Nano-sized Medicines
Maria VICENT
(RESEARCH CENTRE PRÍNCIPE FELIPE, Valencia, Spain)

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 Antimalarial Medicinal Chemistry “Opportunities and Challenges"
David WATERSON
(MEDICINES FOR MALARIA VENTURE, Geneva, Switzerland)

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 A Novel Asymmetric Propargylation Reaction and its Application to the Large Scale Synthesis of Drug Candidates
Nathan YEE
(BOEHRINGER INGELHEIM PHARMACEUTICALS, Ridgefield, United States)

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 Ligand Efficiency and Physical Properties Control, the Keys to Successful Drug Discovery?
Rob YOUNG
(GLAXOSMITHKLINE, Hertfordshire, United Kingdom)

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 Innovation Needs New Ways of Thinking: Talk to a Chemical Biologist in Academia
Giovanna ZINZALLA
(KAROLINSKA INSTITUTET, Stockholm, Sweden)

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Oral Communications
 Targeting Protein-Protein Interactions in the Brain

(EYEDPHARMA)
Kristian STROMGAARD
(UNIVERSITY OF COPENHAGEN, Copenhagen, Denmark)

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 Discovery and SARs of Novel Benzimidazole Derivatives as Potential Flap Inhibitors Based on a Combined Ligand- and Structure-Based Virtual Screening
Erden BANOGLU
(GAZI UNIVERSITY, Ankara, Turkey)

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 Structure-Activity-Relationship Study of (2S,3R)-3-(3-Carboxy-phenyl)-pyrrolidine-2-carboxylic Acid: Towards First Selective Kainate Receptor Subtype 3 (GluK3) Antagonist
Lennart BUNCH
(UNIVERSITY OF COPENHAGEN, Copenhagen, Denmark)

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 Towards a Differential Antimalarial Drug Through the Tres Cantos Antimalarial Set (TCAMS)
Félix CALDERÓN
(GLAXOSMITHKLINE, Madrid, Spain)

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 Discovery of JNJ-18038683, a Selective 5-HT7 Receptor Antagonist: Preclinical and Clinical Evaluation
Nicholas CARRUTHERS
(JOHNSON & JOHNSON R&D, San Diego, United States)

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 Fragments, Fits, Fingerprints: Structure-Based Virtual Screening for Fragment-Like GPCR Ligands
Chris DE GRAAF
(VU UNIVERSITY AMSTERDAM, Amsterdam, The Netherlands)

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 New Selective Androgen Receptor Modulators (SARM) for the Treatment of Cachexia
Pierre DEPREZ
(GALAPAGOS, Romainville, France)

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 Optimization of Novel Alkylpyrazoles as Potent Antimalarial Agents
Beatriz DÍAZ HERNÁNDEZ
(GLAXOSMITHKLINE R&D SPAIN, Tres Cantos, Spain)

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 Targeting Oncogenic microRNAs: Toward New Chemotherapies
Maria DUCA
(UNIVERSITY OF NICE SOPHIA ANTIPOLIS, Nice, France)

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 Anti-Adhesion Therapy for the Treatment of Infective Diseases
Beat ERNST
(UNIVERSITY OF BASEL, Basel, Switzerland)

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 Boosting Ethionamide as a New Strategy to Fight Tuberculosis: in vitro and in vivo Validation of 1,2,4-Oxadiazole EthR Inhibitors
Marion FLIPO
(INSERM U1177 DRUGS AND MOLECULES FOR LIVING SYSTEMS, Lille, France)

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 Total Synthesis of New Functionalized Epothilone Analogs for Prodrug Design and Tumor Targeting
Fabienne GAUGAZ
(ETH ZÜRICH, Zürich, Switzerland)

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 The Discovery and Early Clinical Development of CNV1014802: A Novel, NAV1.7 Selective, State-Dependent Sodium Channel Blocker for the Treatment of Neuropathic Pain
Gerard GIBLIN
(CONVERGENCE PHARMACEUTICALS, Cambridge, United Kingdom)

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 A Chemical Biology Tool Developed in Yeast for Direct Targets Identification of a Bioactive Compound
Marie-Edith GOURDEL
(HYBRIGENICS SAS, Paris, France)

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 Targeted, Polymer-Based Nanoparticles for Delivery of Camptothecin
Han HAN
(CALIFORNIA INSTITUTE OF TECHNOLOGY, Pasadena, United States)

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 Aldehyde Oxidase Metabolism - An Emerging but Surmountable Problem in Modern Drug Discovery
Peter JONES
(PFIZER, Cambridge, United States)

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 4-Phenyl Imidazoles: A Novel Class of Phosphodiesterase 10A (PDE10A) Inhibitors as a Potential New Generation of Antipsychotics
Jan KEHLER
(H. LUNDBECK A/S, Valby, Denmark)

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 Disrupting the Amyloid Cascade- BACE 1 Inhibition for the Treatment of Alzheimer's Disease
Daniel LA
(AMGEN, Cambridge, United States)

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 From the Clinic to the Lab and Back -Discovery of PAN-CDK Inhibitors
Ulrich LUCKING
(BAYER HEALTHCARE, Berlin, Germany)

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 Novel Triazolopyridine Compounds as Selective JAK1 Kinase Inhibitors: From Target Discovery to the Clinical Candidate GLPG0634
Christel MENET
(GALAPAGOS, Brussels, Belgium)

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 Multi-Criteria Decision Making Methods: A Paradigm Applied to the Discovery of the First SV2C Selective Chemical Series
Joël MERCIER
(UCB, BRAINE-L'ALLEUD, Belgium)

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 Endoperoxide-Vinyl Sulfone Hybrids as Dual Acting Antimalarials
Rudi OLIVEIRA
(IMED.ULISBOA, Lisboa, Portugal)

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 Developments of an Integrated in Silico Prediction System of Drug Toxicity Endpoints
Manuel PASTOR
(UNIVERSITY POMPEU FABRA, Barcelona, Spain)

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 Discovery and Profiling of Potent and Selective mTOR Inhibitor GDC-0349
Zhonghua PEI
(GENENTECH, INC, South San Francisco, United States)

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 The Power of Molecular Matched-Pair Analysis in Drug Design: Case Study of Oxadiazoles
Alleyn T. PLOWRIGHT
(ASTRAZENECA, Mölndal, Sweden)

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 Tetrahydroquinoline Derivatives as Potent and Selective Factor XIA Inhibitors
Mimi QUAN
(BMS, Pennington, United States)

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 4,4-Dioxo-5,6-Dihydro-[1,4,3]Oxathiazines as a Novel Class of 11ß-HSD1 Inhibitors for the Treatment of Diabetes
Kurt RITTER
(SANOFI, Frankfurt am Main, Germany)

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 New Inhibitors of Cathepsin A for the Treatment of Cardiovasuclar Diseases
Sven RUF
(SANOFI-AVENTIS, Frankfurt, Germany)

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 Development of Small Molecule Embryonic Stem Cell Stimulators of Cardiogenesis: Case Study of a Medicinal Chemistry Approach
DENNIS SCHADE
(CHRISTIAN-ALBRECHTS-UNIVERSITY KIEL, KIEL, Germany)

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 Potent and Selective Autotaxin (ATX) Inhibitors
Kai SCHIEMANN
(MERCK KGAA, DARMSTADT, Germany)

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 Novel Potent and Selective NAM'S of the GABAA 5 Receptor Sub-Type
Andrew THOMAS
(F. HOFFMANN-LA ROCHE LTD, Basel, Switzerland)

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 Discovery of the Clinical Candidate TMC647055, a non Nucleoside Inhibitor of the Hepatitis C Virus NS5B Polymerase
Sandrine VENDEVILLE
(TIBOTEC, Beerse, Belgium)

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 Towards Modulators of GABA Transporters: Screening of "Pseudo-static" Dynamic Combinatorial Libraries by ms Binding Assays
Klaus T. WANNER
(LUDWIG - MAXIMILIANS UNIVERSITÄT MÜNCHEN, Munich, Germany)

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WORKSHOPS
 WORKSHOP NOVALIX
BIOPHYSICAL TECHNIQUES IN DRUG DISCOVERY
 WORKSHOP ACCELRYS
NEW COMPUTATIONAL METHODS FOR FRAGMENT BASED LEAD DESIGN
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