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Agenda
(Please check back for updates, as the agenda is subject to change.)
Day One – October 3rd
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8:00am |
Registration
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9:00am |
Multi-Component Reactions & Chemistries
Session Chair: Richard Hartley, Reader, University of Glasgow
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9:05am |
Keynote Address - Corporate File Enhancement: Multicomponent Reactions and Iterative Efficiency in Medicinal Chemistry
Christopher Hulme, BI05 Institute, University of Arizona
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9:50am |
New Applications of Isocyanides in Heterocyclic Synthesis
Laurent El Kaim, Ecole Nationale Superieure de Techniques Avancees
Various multicomponent formations of heterocycles from isocyanides will be presented. Piperazines, lactames, pyrimidines…have been obtained following two different strategies: Ugi post condensation reactions (radical, Pictet-Spengler…) and development of new Ugi type couplings with electron deficient phenols (Ugi-Smiles reactions).
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10:20am |
Coffee and Networking in Exhibition Area
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11:05am |
Structurally Diverse Heterocyclic Scaffolds through Multicomponent Reactions
Rodolfo Lavilla, Professor, Parc Cientific de Barcelona
A wide array of heterocyclic scaffolds can be prepared in a straightforward manner through multicomponent reactions (MCRs) using fundamental N- and O-heterocyles. The processes involve the direct use of commercially available pyridine (and other azines), indoles, cyclic enol ethers together with common carbonyl compounds, amines, isocyanides, etc. The development of new MCRs is based on rational mechanistic speculations upon well-known Mannich-, Ugi- and Passerini-like transformations. Post-condensation reactions further increase the structural variability of the prepared heterocyclic cores. The latest results from our research group in this area will be presented.
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11:35am |
New Chemical Approaches
Session Chair: Gerald Hammond, Professor, University of Louisville
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11:40am |
Multi Receptor Tyrosine Kinase and Dihydrofolate Reductase Inhibitors with Antiangiogenic Antitumor Activity
Kumar Gadamasetti, President, Delphian Pharmaceuticals
Delphian Pharmaceuticals uses specifically designed druggable scaffolds derived from proprietary anti-folates to create novel multifunctional agents, including antiangiogenic and antitumor agents. Lead Delphian's drug candidates, designed and developed around 2,4-diaminofuro[2,3-d]pyrimidine scaffolds combine antiangiogenic (VEGFR, PDGFR; cytostatic) and cytotoxic activity (DHFR) in the same molecule for improved anticancer activity. Highlighted are design, synthesis and biological activity.
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12:10pm |
Lunch and Poster Viewing
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1:40pm |
Titanium Carbenoids: Rapid Synthesis of Diverse Indoles, Piperidines and Other Priviledged Structures Using Microwave-Assisted, Solution-Phase and Solid-Phase Techniques
Richard Hartley, Reader, University of Glasgow
Fuctionalized titanium carbenoid reagents offer unique reactivity that allows the synthesis of a diverse range of privileged structures. The power of these reagents in microwave-assisted synthesis, solid-phase synthesis and asymmetric synthesis will be highlighted.
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2:10pm |
Synthesis of 1,2,4,5-Tetrasubstituted Thioimidazoles from Structural Diverse Ethanone Precursors via Novel Regiospecific Reaction Sequences Allowing Maximum Substituent Variability
Stefan Laufer, Director, University of Tuebingen
Imidazoles are still preferred scaffolds for p38 MAPK inhibition. Although binding at the ATP-binding site, imidazole scaffolds allow the design of selective MAPK inhibitors. We report a multifunctional synthetic methods allowing flexible and regioselective modification of substituents to yield bioactive (1,)2,4,5-substituted imidazoles starting from structural diverse ethanone scaffolds.
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2:40pm |
Natural Product Scaffolds in Drug Discovery - Part I
Session Chair: Kumar Gadamasetti, President, Delphian Pharmaceuticals
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2:45pm |
Cinchona Alkaloids as a Versatile Starting Point for the Generation of Biological Relevant Screening Libraries
Christian Mang, Research Scientist, AnalytiCon Discovery
Starting from quinine and quinidine a chemical diverse and biological relevant screening library was developed consisting of >3500 compounds addressing a wide range of solubilty and polarity. This example demonstrates the usefulness of natural products in the lead finding process of modern drug discovery.
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3:15pm |
Coffee and Networking in Exhibit Area
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4:00pm |
Multi-step Library Synthesis of Substituted Benzopyrans with Potassium Channel Blocking Activities
Uwe Schoen, Principal Scientist, Solvay Pharmaceuticals
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4:30pm |
Keynote Address – Rediscovering the Allene-Propargyl Interconversion as a Useful Tool in Synthesis
Gerald Hammond, Professor, University of Louisville
In contrast to alkenes, fluorine-containing alkynes generate additional reactivity sites through isomerization, giving rise to fluoroallenes, a synthetically important, albeit poorly understood molecular building block. This presentation will provide selective syntheses of densely functionalized fluoroorganic compounds, including the discovery of a potential anticancer agent with a unique mechanism, and a novel fluoride-mediated ‘alkynylogous aldol reaction.’
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5:15pm |
Drinks Reception - Compliments of Biotage
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Day Two – October 4
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9:00am |
Natural Product Scaffolds in Drug Discovery - Part II
Session Chair: Kumar Gadamasetti, President, Delphian Pharmaceuticals
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9:05am |
Drug Discovery Using Libraries of Rational Structural Diversity
Wim Meutermans, Head of Discovery, Alchemia
A drug discovery approach was developed using rational structural diversity libraries, by appending binding elements in selected ways around monosaccharide scaffolds. The library compounds have good in vitro and in vivo PK and efficacy properties.
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9:35am |
Exo-methyleno-gamma-butyrolactone Natural Products: Can They be Made into Drugs?
Oliver Reiser, Professor and Dean, University of Regensburg
Hybrids of carrier peptides and tricyclic guaianolides, displaying particularly high biological activity, are presented to selectively target tumor cells. In this context, a novel approach that readily allows the enantioselective synthesis of guaianolide natural products and analogs has been developed.
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10:05am |
Coffee and Networking in Exhibition Area
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10:50am |
New Approaches and Technologies in the Drug Discovery Process
Session Chair: Christopher Hulme, BI05 Institute, University of Arizona
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10:55am |
Lead Discovery by DNA Encoded Chemical Libraries
Samu Melkko, Head of Lead Discovery, Philochem
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11:25am |
Encoded Self-assembling Chemical Libraries, A Novel Tool in Drug Discovery
Joerg Scheuermann, Scientist, ETH Zurich
DNA-encoded chemical libraries feature a novel tool in drug discovery. Large encoded libaries can be formed by self-assembly of single-stranded sublibraries to a heteroduplex libary and be used in affinity-based selections against a protein target of choice (ESAC library technology).
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11:55am |
Lunch and Poster Viewing
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1:25pm |
Community-based Drug Discovery Technologies Applied to Neglected Diseases
Barry Bunin, President, Collaborative Drug Discovery
A community-based collaborative drug discovery (CDD) platform to archive, mine and collaborate around drug discovery data for diseases of the developing world will be introduced. Combining results from the Chibale Group in University of Cape Town (South Africa) with structurally related compounds from the McKerrow Group at the University of California at San Francisco (USA) and similar FDA/Orphan (courtesy of Dr. Christopher Lipinski) approved drug compounds help identify chemosensitizers to address Malaria chloroquine resistance.
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1:55pm |
Modeling, Docking and Computational Medicinal Chemistry
Session Chair: Barry Bunin, President, Collaborative Drug Discovery
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2:00pm |
Improving Lead Discovery: Increasing Speed and Accuracy in Virtual Screening
Christopher Higgs, Senior Applications Scientist, Schrodinger
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2:30pm |
Anthrax Lethal Factor Protease Inhibitors
Sherida Johnson, Staff Scientist, Burnham Institute
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3:00pm |
Coffee and Close of Conference |
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