2. Chemistry Strategies to Reduce Attrition in Drug Discovery
3. Emerging Drugs
Session Chair Dr Hans-Ulrich STILZ (SANOFI-AVENTIS, Frankfurt/Main, Germany)
Integration of Fragment Derived Structure-Based Design into the Discovery and Development of Selective Kinase Inhibitors for Treatment of Human Cancers
Dr. Gavin HIRST (SGX PHARMACEUTICALS, San Diego, United States)
Fragment Based Lead Discovery
Prof. Roderick E. HUBBARD (UNIVERSITY OF YORK / VERNALIS, York, United Kingdom)
Search for Taxoid Mimics Using Dynamic Combinatorial Chemistry Targeting Tubulin
Ms Claire LE MANACH (ICMMO, Orsay, France)
Session Chair Dr Geoffrey STEMP (GLAXOSMITHKLINE, Harlow, United Kingdom)
From Fragment to Clinic
Dr. David REES (ASTEX THERAPEUTICS, Cambridge, United Kingdom)
Chemical Strategies for Successful Clinical Development
Dr. Christopher N. JOHNSON (GLAXOSMITHKLINE, Harlow, United Kingdom)
Recent Strategies Around Predicting Oral Absorption
Dr DAVID MILLAN (PFIZER, Sandwich, United Kingdom)
Session Chair Dr Erin DIMAURO (AMGEN, Cambridge, United States)
Emerging Treatments for Chronic Pain: Prospects and Challenges.
Dr. Stefan MCDONOUGH (AMGEN, Cambridge, United States)
Discovery of a Selective TRPV1 Antagonist, AMG 517: A Clinical Candidate for the Treatment of Pain
Mr Mark NORMAN (AMGEN, Thousand Oaks, United States)
Novel alpha2delta Ligands for the Treatment of Neuropathic Pain
Dr. Graham N. MAW (PFIZER, Sandwich, United Kingdom)
19. Exploring the Chemical Space
20. Chemokines
21. Systems Level Research Informs Drug Target Identification and Therapy Design
Session Chair Profs. Herbert WALDMANN & STEFAN WETZEL (MAX PLANCK INSTITUTE OF MOLECULAR PHYSIOLOGY, Dortmund, Germany)
Computer-Assisted Molecular Design: Voyages to the (un)known
Prof. Gisbert SCHNEIDER (JOHANN WOLFGANG GOETHE UNIVERSITY, Frankfurt, Germany)
The Quest for Bioisosterism in the “Other Side” of Chemical Space
Dr. Antonio MACCHIARULO (UNIVERSITY OF PERUGIA, Perugia, Italy)
Exploration of Chemical Space for Drug Discovery by Database Generation
Prof. Jean-Louis REYMOND (UNIVERSITÄT BERN, Bern, Switzerland)
Scaffold Hunter: Charting and Exploring Chemical Space
Dr. Stefan WETZEL (MAX PLANCK INSTITUTE OF MOLECULAR PHYSIOLOGY, Dortmund, Germany)
Session Chair Prof. Gerhard ECKER (UNIVERSITY OF VIENNA & EFMC, Vienna, Austria)
CXCR4 Antagonists: Relevance to Cancer Chemotherapy
Prof. Nobutaka FUJII (KYOTO UNIVERSITY, Kyoto, Japan)
Selective Dual CCR2/5 Antagonists
Dr. Wolfgang MILTZ (NOVARTIS PHARMA, Basel, Switzerland)
Biological Profiling of Anti-HIV Agents using in Silico Techniques: Insights into CCR5 Ligands Binding Through Homology Buildings, 3D-QSAR, Docking and Shape Matching Virtual Screening
Mr Antonio CARRIERI (DDIPARTIMENTO FARMACO-CHIMICO, Bari, Italy)
Session Chair Prof. Harel WEINSTEIN (CORNELL UNIVERSITY, New York, United States)
Drug Discovery, Drug Delivery and Therapeutic Monitoring by Molecular, Cellular and Functional Imaging of Atherothrombosis
Dr. Zahi A. FAYAD (MOUNT SINAI SCHOOL OF MEDICINE, New York, United States)
Understanding Drug Mechanisms and Designing Therapy at the Systems Level of the Functional Human Interactome
Prof. Gianni CESARENI (UNIVERSITY OF ROME 'TOR VERGATA', Rome, Italy)
Special Structural, Dynamic and Functional Characteristics of Membrane Proteins and their Signaling Partners that Determine the Mode and Putative Success of Therapy Design Targeting Cellular Signaling Systems.
Prof. Harel WEINSTEIN (CORNELL UNIVERSITY, New York, United States)
22. New Computational Approaches Supporting Drug Design
23. Druggability of Protein-Protein Interactions
24. Systems Biology and Medicinal Chemistry
Session Chair Dr. Jordi MESTRES (IMIM AND UNIVERSITAT POMPEU FABRA, Barcelona, Spain)
Overview on New Computational Tools Supporting Drug Design
Prof. Tudor I. OPREA (UNIVERSITY OF NEW MEXICO, Albuquerque, United States)
Novel Tools for Data Gathering
Dr. Muthukumarasamy KARTHIKEYAN (NATIONAL CHEMICAL LABORATORY, Pune, India)
Novel Tools for Data Classification
Dr. Ansgar SCHUFFENHAUER (NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, Basel, Switzerland)
Novel Tools for Data Exploitation
Dr. Elisabet GREGORI-PUIGJANE (CHEMOTARGETS, Barcelona, Spain)
Session Chair Mr Peter NUSSBAUMER (LEAD DISCOVERY CENTER, DORTMUND, Germany)
Mapping the Binding Cite of Substrate Targeting Gamma-secretase Modulators. Phase III Candidates for Alzheimer´s Disease Utilize a Novel Protein-protein Interaction
Prof. Boris SCHMIDT (TU DARMSTADT, Darmstadt, Germany)
Rational Design of Cytotoxic Peptides from the Analysis of Protein-Protein Interactions in Microtubules
Dr Stefano PIERACCINI (UNIVERSITY OF MILANO, Milano, Italy)
Peptidomimetic Inhibitors of the PSD-95/NMDA Receptor Interaction
Mr Anders BACH (UNIVERSITY OF COPENHAGEN, Copenhagen, Denmark)
Dynamic Ligation Screening: A Method for the Site-Directed Discovery of Inhibitory Fragments
Prof Jörg RADEMANN (LEIBNIZ INSTITUTE FOR MOLECULAR PHARMACOLOGY, Berlin, Germany)
Session Chair Prof Christian NOE (UNIVERSITY OF VIENNA, Vienna, Austria)
Network Based Drug Discovery
Prof. Hans WESTERHOFF (VU UNIVERSITY AMSTERDAM, Amsterdam, The Netherlands)
Systems Biology – What Does it Mean for Pharmaceutical Science?
Prof Christian NOE (UNIVERSITY OF VIENNA, Vienna, Austria)
Integrated Approach for the Multireceptorial Design of Antipsychotic Agents
Dr Jana SELENT (UNIVERSITAT POMPEU FABRA, Barcelona, Spain)
25. Structure Based Drug Design (AFMC)
26. Modulators of Adenosine and P2Y Receptors
27. Addressing Therapeutic Complexity in Oncology with Med. Chem.
Session Chair Prof. Esin AKI-SENER (ANKARA UNIVERSITY, Ankara, Turkey)
Quantum Chemical Calculation of Protein-Ligand Interaction
Prof. Isao NAKANISHI (KYOTO UNIVERSITY, Kyoto, Japan)
Inhibiting ROS Toxicity in Alzheimer's Disease: Structural Studies of
Amyloid-Beta and Metal Ion Complexes
Dr. Jose VARGHESE (CSIRO, Parkville, Australia)
Access and Binding of Local Anesthetics in the Closed Sodium Channel
Ms Iva BRUHOVA (MCMASTER UNIVERSITY, Hamilton, Canada)
