Reduce failed leads, encourage new target and compound research areas and increase innovation with cutting-edge tools and techniques FORUM Chaired By REBECCA NOFSINGER Senior Research Pharmacist, Biopharmaceutics Group, MERCK & CO. INNOVATIONS IN DRUG DESIGN u Ensure strong cross-specialty collaborations between industry and academics to increase success in medicinal drug design u Learn best practices for fragment-based drug design and protein-protein interactions u Develop predictive assays through phenotypic screening u Optimize prodrugs to advance promising molecules into development December 11-12, 2014 • Loews Philadelphia Hotel • Philadelphia, PA DRUG DESIGN MODELING AND SIMULATION XIN GUO Professor in the Department of Pharmaceutics and Medicinal Chemistry, UNIVERSITY OF THE PACIFIC GLEN KELLOG Associate Professor of Medicinal Chemistry, VIRGINIA COMMONWEALTH UNIVERSITY NICHOLAS MEANWELL Executive Director, Chemistry R&D, BRISTOL-MYERS SQUIBB ANDREW PETROS Associate Research Fellow, ABBVIE RONNY PRIEFER Professor of Medicinal Chemistry, WESTERN NEW ENGLAND UNIVERSITY FABIEN VINCENT Associate Research Fellow, PFIZER GLOBAL RESEARCH & DEVELOPMENT DONALD WEAVER Institute Director, TORONTO WESTERN RESEARCH INSTITUTE LEI ZHU Senior Scientist, MERCK & CO. Attendee Benefits and Takeaways HIGH THROUGHPUT SCREENING PHARMACOKINETICS LEAD OPTIMIZATION PHARMACOGENOMICS MEDICINAL CHEMISTRY STRUCTURAL BIOLOGY TARGET DISCOVERY COMPUTATIONAL CHEMISTRY COMPUTER-AIDED DRUG DESIGN FORMULATION TO REGISTER Call 866-207-6528 or visit www.exlpharma.com/drugdesign
Transcript
Reduce failed leads, encourage new target and compound research areas and increase innovation with cutting-edge tools and techniques
FORUM
Chaired By
REBECCA NOFSINGER Senior Research Pharmacist, Biopharmaceutics Group, MERCK & CO.
INNOVATIONS IN DRUG DESIGN
u Ensure strong cross-specialty collaborations between industry and academics to increase success in medicinal drug design
u Learn best practices for fragment-based drug design and protein-protein interactions
u Develop predictive assays through phenotypic screening
u Optimize prodrugs to advance promising molecules into development
December 11-12, 2014 • Loews Philadelphia Hotel • Philadelphia, PA
DRUGDESIGNMODELING AND
SIMULATION
XIN GUO Professor in the Department of Pharmaceutics and Medicinal Chemistry, UNIVERSITY OF THE PACIFIC
GLEN KELLOG Associate Professor of Medicinal Chemistry, VIRGINIA COMMONWEALTH UNIVERSITY
NICHOLAS MEANWELL Executive Director, Chemistry R&D, BRISTOL-MYERS SQUIBB
ANDREW PETROS Associate Research Fellow, ABBVIE
RONNY PRIEFER Professor of Medicinal Chemistry, WESTERN NEW ENGLAND UNIVERSITY
FABIEN VINCENT Associate Research Fellow, PFIZER GLOBAL RESEARCH & DEVELOPMENT
DONALD WEAVER Institute Director, TORONTO WESTERN RESEARCH INSTITUTE
LEI ZHU Senior Scientist, MERCK & CO.
Attendee Benefits and Takeaways
HIGH THROUGHPUT
SCREENING
PHARMACOKINETICS
LEAD OPTIMIZATION
PHARMACOGENOMICS
MEDICINAL CHEMISTRY
STRUCTURAL BIOLOGY
TARGET
DISCOVERY
COMPUTATIONAL CHEMISTRY
COMPUTER-AIDED DRUG DESIGN
FORMULATION
TO REGISTER Call 866-207-6528 or visit www.exlpharma.com/drugdesign
INNOVATIONS IN DRUG DESIGNFORUM
Who should attend Dear Colleague,
The survival of the pharma industry depends on breakthroughs in drug design - but
this process has been hindered by the lack of new targets and by complex formulation
challenges. Optimizing new drug products requires that you take into account
bioavailability, solubility, metabolic half-life, specificity, side effects, and other factors.
Fortunately, new techniques empower scientists to overcome many of these challenges
and develop novel therapeutics to improve patient outcomes.
The Innovations in Drug Design Forum offers strategies to reduce failed leads,
improve new target and compound research areas, and increase innovation with
cutting-edge techniques. This two day event focuses on novel drug design techniques
including: computer-aided drug design; fragment-based drug design; phenotypic
screening; optimization of reversible covalent inhibitors; new prodrug applications; and
many more! It additionally outlines strategies for collaborative partnerships between
industry and academia.
With 14 sessions and 7 case studies, this event provides you with proven strategies
and new ideas to achieve your research goals and enhance drug design.
I look forward to welcoming you to Philadelphia this winter!
Sincerely,
Matt Greenbaum Matt GreenbaumSenior Conference Producer
This conference is designed for professionals from pharmaceutical, biotechnology and academic institutions with responsibilities in the following areas:
u Drug Design/Discovery
u Medicinal/Discovery/ Computational
Chemistry
u Pharmaceutical Research
u Lead Optimization
u Modeling & Simulation
u Target Discovery
u Computer Aided Drug Design
u Small Molecule Development
u Organic/Physical Chemistry
u Molecular Pharmacology/
Interactions/Imaging
u Translational Science
u Pharmacokinetics/
Pharmacogenomics/Proteomics
u X-ray Crystallography
Venue Information: Loews Philadelphia Hotel1200 Market Street Philadelphia, PA 19107
The Loews Philadelphia Hotel seamlessly blends history with the needs and wants of the modern traveler. Enjoy
legendary Lowes conveniences, comforts and services. From the prime location with breathtaking skyline views to
the spacious guestrooms and innovative cuisine, our hotel offers business and leisure travelers alike everything they
need for a memorable stay.
Room Reservations: To make reservations please call 888-575-6397 and request the negotiated rate for
ExL’s December Meetings. The group rate is available until November 19, 2014. Please book your room early
as rooms available at this rate are limited.
TO REGISTER Call 866-207-6528 or visit www.exlpharma.com/drugdesign
9:00 IMPROVE DRUG CANDIDATES’ DESIGN BY APPRECIATING PHYSICAL PROPERTIES IN LEAD OPTIMIZATION AND THE UTILIZATION OF METRICS
} Discuss development and benefits of controlling the physical properties of drug molecules in lead optimization
} Analyze previously developed efficiency metric parameters and their adaptation by the medicinal chemistry community
} Determine what insight metrics can provide into the quality of structural changes and optimizing ligand efficiency
} Discuss aspects of working with molecules that express physical properties that fall beyond traditional drug-like space
Nicholas Meanwell, PhD, Executive Director, BRISTOL-MYERS SQUIBB
9:45 UTILIZE COMPUTER-AIDED DRUG DESIGN TO MODEL MOLECULAR STRUCTURES OF SMALL MOLECULES TO DETERMINE OPTIMAL LEADS FOR TESTING
} Highlight specific examples of compound modeling to prevent improper protein folding of beta-amyloid in Alzheimer’s Disease
} Discuss Common Conformation Motif software creation and properties that identify abnormal shape and protein misfolding based on experimental and theoretical information
} Assess the break down of the analytical processes that test out the structure of small molecules to determine potential and viable leads
Donald Weaver, MD, PhD, Institute Director, TORONTO WESTERN RESEARCH INSTITUTE
10:30 Networking & Refreshment Break
11:00 DEVELOP MORE PREDICTIVE ASSAYS THROUGH PHENOTYPIC SCREENING
} Discuss the positive impact of phenotypic screening on translation of pre-clinical discoveries
} Identify the characteristics of the best phenotypic screens } Understand the three specific criteria to help identify and design the most
promising screens
Fabien Vincent, PhD, Associate Research Fellow, PFIZER GLOBAL RESEARCH & DEVELOPMENT
11:45 UTILIZE FRAGMENT-BASED DRUG DESIGN TO IDENTIFY LEADS AND TARGETS
} Learn how to utilize a combination of NMR, X-ray crystallography and surface plasmon resonance to identify hits
} Discuss how weak affinity binding of fragments to targets can be optimized to create successful leads
} Address the challenges posed by experimental screening approaches by combining computational analysis and prediction with fragment screening to develop potential compounds
} Understand how fragment-based drug design has been used to target protein-protein interactions and membrane proteins such as G-Protein Coupled Receptors
Andrew Petros, PhD, Associate Research Fellow, ABBVIE
12:30 Luncheon
1:30 BEST PRACTICES IN STRUCTURE-BASED DRUG DESIGN BY UTILIZING THE MOST UP-TO-DATE TECHNOLOGICAL ADVANCEMENTS
} Utilize ensemble docking with multi-conformational tools and apply it to multiple targets simultaneously
} Analyze consensus binding to improve target selectivity and affinity } Apply x-ray crystallography and computational modeling to more exactly
determining target structure and small compound binding affinity } Leverage current technological tools to increase workflow and efficiency
in drug design
Andrew Tebben, MS, Senior Principal Scientist and Computational Chemistry Group Leader, BRISTOL-MYERS SQUIBB
2:15 METHODOLOGY AND BEST PRACTICES IN DESIGNING MOLECULES FOR INTRACELLULAR TARGETS
} Discuss strategies and techniques for drug design and delivery systems of molecules to targets
} Learn a novel approach to breach the cell membrane and move molecules through the cytoplasm without endosome encapsulation
} Utilize computational chemistry to develop molecular models and design large molecules for intracellular targets
} Address toxicity issues through additional modeling manipulation
Jerome Schentag, PharmD, Professor of Pharmaceutical Sciences and Pharmacy, THE STATE UNIVERSITY OF NEW YORK – BUFFALO
3:00 Networking & Refreshment Break
3:30 USE OF PRODRUGS TO ADVANCE PROMISING MOLECULES INTO DEVELOPMENT
} Define a prodrug and the benefits of prodrug delivery } Analyze current prodrug landscape and challenges } Presentation of a case study for a prodrug aimed to increase colonic
9:15 ENSURE STRONG CROSS-SPECIALTY COLLABORATIONS BETWEEN INDUSTRY AND ACADEMICS TO INCREASE SUCCESS IN MEDICINAL DRUG DESIGN
} Discuss strategies to develop mutually beneficial collaborations with industry
} Address what hurdles and challenges can exist with the current academic setting
} Explore the possible issues encountered when an academic enters the industrial world
} Explore other funding opportunities such as engagement
Ronny Priefer, PhD, Professor of Medicinal Chemistry, WESTERN NEW ENGLAND UNIVERSITY
10:00 METHODS FOR OPTIMIZATION OF REVERSIBLE COVALENT INHIBITORS FROM DISCOVERY THROUGH ENTRY INTO HUMAN TRIALS
} Discuss the novel mechanism of covalently binding small molecules to targets
} Assess the new class of potential small molecules and the mechanistic effect on reversible and bindable targets
} Show binding durability in animal models and disease modifying effect
Michael Bradshaw, PhD, Senior Scientist, PRINCIPIA BIOPHARMA
10:45 Networking & Refreshment Break
11:15 UNDERSTAND GENETIC POLYMORPHISMS AND THEIR EFFECT ON DRUG DESIGN AND DRUG DEVELOPMENT
} Pharmacogenomic approach to enhance the discovery of drug targets } Pharmacogenomic approach to improve the success rate of clinical trial } Pre-clinical screening of drug leads for more consistent pharmacokinetic
profile } Pharmacogenetic monitoring of safe drug use after its approval
Xin Guo,Professor in the Department of Pharmaceutics and Medicinal Chemistry, THE UNIVERSITY OF THE PACIFIC
12:00 UTILIZE NOVEL FORMULATION APPROACHES TO ADDRESS ISSUES ASSOCIATED WITH CHALLENGING MOLECULAR PROPERTIES
} Increase innovation in formulation processes to inspire unique approaches
} Identify and characterize molecular properties to facilitate formulation targeting
} Develop a check list to quantitatively address challenging molecular properties systematically
TO REGISTER Call 866-207-6528 or visit www.exlpharma.com/drugdesign
PAYMENTMake checks payable to ExL Events, Inc. and write code C565 on your check. You many also use Visa, MasterCard, Discover or American Express. Payments must be received in full by the conference date. Any discount applied cannot be combined with any other offer, and must be paid in full at the time of order. Parties must be employed by the same organization and register simultaneously to realize group discount pricing options. Please note, there will be an administrative charge of $300 to substitute, exchange and/or replace attendance badges with a colleague occurring within five business days of any ExL conference. CANCELLATION POLICYIf you need to cancel your registration for an upcoming ExL event, please note the following policies derived from the Start Date of the event:• Four weeks or more:A full refund (minus a $295 processing fee) or a voucher to another ExL
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issue dateIf you cancel at any time after receiving the conference documentation, the voucher issued will be $395 lessTo receive a refund or voucher, please fax your request to 888-221-6750.SUBSTITUTION CHARGES: There will be an administrative charge of $300 to substitute, exchange and/or replace attendee badges with a colleague occurring within five business days of the conference.ExL Pharma reserves the right to cancel any conference it deems necessary and will not be responsible for airfare, hotel or any other costs incurred by registrants.
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Please Note: Speakers and agenda are subject to change without notice. In the event of a speaker cancellation, significant effort to find a suitable replacement will be made. TERMS AND CONDITIONSBy registering for an ExL Events, Inc. (“ExL Pharma”) event, you agree to the following set of terms and conditions listed below:Registration Fee: The fee includes the conference, all program materials and designated continental breakfasts, lunches and refreshments.The opinions of this faculty do not necessarily reflect those of the companies they represent or ExL events, Inc.The content in ExL slide presentations, including news, data, advertisements and other information, is provided by ExL Events, Inc.’s (“ExL’s”) designated speakers and is designed for informational purposes for its attendees, and is NOT INTENDED for purposed of copywriting, not redistribution to other outlets without the express written permission of ExL’s designated speaking parties. Neither ExL, nor its content providers and/or speakers and attendees shall be liable for any errors, inaccuracies or delays in content, or for any actions taken in reliance thereon. EXL EVENTS, INC. EXPRESSLY DISCLAIMS ALL WARRANTIES, EXPRESSED OR IMPLIED, AS TO THE ACCURACY OF ANY OF THE CONTENT PROVIDED, OR AS TO THE FITNESS OF THE INFORMATION FOR ANY PURPOSE. Although ExL makes reasonable efforts to obtain reliable content from third parties, ExL does not guarantee the accuracy of or endorse the views or opinions given by any third party content provider. ExL presentations may point to the other Internet sites that may be of interest to you, however ExL does not endorse or take responsibility for the content on such other sites.
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