CHI's Structure-Based Drug Design Conference - June 19-21, 2013, Boston, MA
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CHI's Structure-Based Drug Design Conference - June 19-21, 2013, Boston, MA



Hear about developments in in silico technology, as well as experimental approaches useful for accurately predicting and modeling the structures of proteins in structure-based drug design efforts. In ...

Hear about developments in in silico technology, as well as experimental approaches useful for accurately predicting and modeling the structures of proteins in structure-based drug design efforts. In addition,examples of successful applications of such technology approaches to genome-to-drug lead
investigations will be addressed.



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CHI's Structure-Based Drug Design Conference - June 19-21, 2013, Boston, MA CHI's Structure-Based Drug Design Conference - June 19-21, 2013, Boston, MA Document Transcript

  • Final Agenda June 19-21, 2013 • The Revere Hotel • Boston, MACambridge Healthtech Institute and Bio-IT World’s Thirteenth AnnualStructure-BasedDrug DesignGenome to Drug Leadwith Big Data ApproachKeynote Presentation:Drugging the Undruggable: TransformingNature’s α-Helix into Breakthrough MedicinesTomi Sawyer, Ph.D., CSO, Aileron Therapeutics Corporate Sponsors: Register by March 22 & save up to $350! Organized by: Cambridge Healthtech Institute
  • Structure-Based Drug Design Dear Colleague, Thank you for your continued interest and support Who You Will Meet regarding our Structure-Based Drug Design conference. Titles: • Lab Head/Head The growing protein structure information has given structure-based methods a place of • Team Leader prominence in drug discovery. The current state of in silico technology for effectively using • Chief Scientific Officer biological big data for structure-based drug design is significantly limited by the lack of • Director a realistic environment for simulations and an absence of fully integrated infrastructure. • Research Scientist/Principal Scientist/ Moreover, the emerging deluge of biological data of all kinds available to the field of Scientist biomedicine and the pharmaceutical industry represents a significant opportunity to • Senior Researcher/Researcher fundamentally change the process of disease target discovery and drug design. • Graduate Student • Professor Leveraging ever-increasing computing power and large-scale informatics framework that • PostDoc integrate functional, structural and expression information, we face ample opportunities to fine-tune our protein-ligand modeling algorithm and modify the molecule to get the desired properties. Departments: • Biochemistry In silico approaches to rational structure-based drug discovery are leveraging big data • Bioinformatics technology in the identification and optimization of lead compounds and the identification • Chemical Biology and validation of drug targets, followed by the prediction of ligands for the target protein • Chemistry from molecular modeling computation. • Computational Biology • Computational Chemistry At CHI’s thirteenth annual Structure-Based Drug Design conference, you will hear about • Discovery Chemistry developments in in silico technology, as well as experimental approaches useful for accurately • Drug Discovery predicting and modeling the structures of proteins in structure-based drug design efforts. • Informatics In addition, examples of successful applications of such technology approaches to • Lead Discovery genome-to-drug lead investigations will be addressed. • Medicinal Chemistry • Molecular Modeling • Scientific Computing Register by March 22 at the early rate and save up to $350 off • Stuctural Biology your conference registration. • Structural Chemistry • Structural Sciences Warmest regards, Co-Located Event: Eleventh Annual Ming Guo Next-Gen Conference Director Kinase Inhibitors: Cambridge Healthtech Institute “Given both the overwhelming amount of available data Moving Towards a Successful Pipeline and the fact that traditional pharma approaches to innovation seem to have largely run out of steam, a bet June 17-19 on big data analytics might make a lot of sense now.” - David Shaywitz, M.D., Ph.D., Physician, Scientist and Best Value! Register for the Management Consultant Structure-Based Drug Design and Kinase conferences at a special rate.2 •••
  • WEDNESDAY, JUNE 19 THURSDAY, JUNE 20 STRUCTURE-BASED DRUG DESIGN FOR KINASE 7:30 am Morning Coffee1:15 pm Chairperson’s Opening Remarks 8:30 Chairperson’s Remarks1:20 Structure-Based Design of Potent and Selective inhibitors of PI3-Kinase Delta »» KEYNOTE PRESENTATION:Jeremy M. Murray, Ph.D., Scientist, Structural Biology, Genentech 8:40 Drugging the Undruggable: Transforming Nature’s α-Helix intoInhibition of PI3Kδ is considered to be an attractive mechanism for the treatment ofinflammatory diseases and leukocyte malignancies. Using a structure-based design Breakthrough Medicinesapproach, we have identified a series of potent and selective inhibitors of PI3Kδ. Tomi Sawyer, Ph.D., CSO, Aileron TherapeuticsThese inhibitors do not occupy the induced selectivity pocket between Trp760 and A major challenge of drug discovery has been to successfullyMet752 that is observed for other families of selective PI3Kδ inhibitors. Instead, modulate the biological properties of those therapeutic targetsthe selectivity of the compounds for inhibition of PI3Kδ relative to other PI3K deemed “undruggable” as defined relative to small-molecules.isoforms appears to be due primarily to the strong interactions these inhibitors However, recent advancements leveraging peptides and macrocycles areare able to make with Trp760 in the PI3Kδ binding pocket. This talk will discuss expanding such drug space, especially for many intracellular protein–proteinthe structural understanding of the selectivity of these inhibitors against other interaction targets deemed “hot” drug-wise. Structural biology and computationalisoforms, pharmacokinetic properties and the ability of select compounds to inhibit chemistry are key tools for such drug discovery. As a case study, advancementsthe function of B-cells in vivo. in stapled peptide technology to transform Nature’s α-helix into breakthrough medicines will be presented.1:50 MD Simulations of Mutant and WT PI3Kα: Insights into the Mechanismof Overactivation and Implications for Drug Design 9:10 A Beacon in the Dark: Structural Information in the Absence of StructureZoe Cournia, Ph.D., Investigator, Biomedical Research Foundation, Academy of Athens Edward R. Zartler, President and CSO, Quantum Tessera Consulting, LLC The current (and next) generation of drug targets are very difficultPI 3 kinase alpha (PI3Kα) is one of the most frequently mutated proteins in human to ligand: membrane proteins, multimeric protein complexes,cancers. Molecular dynamics simulations in aqueous solution performed for wild post-translationally modified proteins, protein-protein interactions.type (WT) and H1047R mutant PI3Kα proteins, revealed different dynamical and Advances in structural biology have been made where we can obtainstructural features for the two proteins, which may lead to kinase overactivation in high resolution structural information for many of these targets. However, for athe mutant variant. Binding site prediction and virtual screening further facilitated large swath of the current, and next-gen targets, we are simply working in thethe development of novel mutant-specific PI3Kα inhibitors that exploit the altered structural dark. Recent advances in NMR-based methods, coupled with novel ideasconformation of the mutant with respect to the WT protein. in fragment-based hit generation, can now shine a light into this darkness, yielding crucial structural details to allow ligands to be rationally designed. We will discuss2:20 Sponsored Presentation (Opportunity Available) these advances and their application to drug discovery.2:50 Refreshment Break in the Exhibit Hall with Poster Viewing FORCE FIELD CALCULATION DRUG RESISTANCE 9:40 Docking: Is It Possible to Know When It Works? Greg Warren, Ph.D., Senior Applications Scientist,3:30 Sponsored Presentation (Opportunity Available) OpenEye Scientific Software, Inc. It is commonly held that the same, protein-centric approach, can be used4:00 Towards a New Generation of Animicrobial Antifolates successfully both to predict the bound conformation of a ligand in complex with a Dennis L. Wright, Ph.D., Professor of Pharmaceutical Sciences and given protein (pose prediction) and to rank molecules based on their probability of Chemistry, University of Connecticut being a binder to that protein (structure-based virtual screening). We will present We are using a structure-based design approach to develop potent tools in the OEDocking Suite that approach these two problems as issues of a and selective inhibitors of the enzyme dihydrofolate reductase (DHFR) rather different nature. Successful results in virtual screening using the rigid protein from a variety of pathogenic organisms. Analysis of crystal structures approximation in docking will be presented along with a flexible, ligand-centricof trimethoprim-resistant and naturally-insensitive enzymes led to the design of a approach to pose prediction that is much more reliable than traditional protein-series of propargyl-linked antifolates characterized by high potency, good selectivity centric posing tools. We also show that whether the problem is pose prediction orover the human form of the enzyme and good anti-microbial activity. virtual screening, combining ligand and protein information in the same calculation produces better results.4:30 Understanding Drug Mechanism of Action by Target Gene Overexpression Adam C. Palmer, Ph.D., Postdoctoral Fellow, Department of Systems 10:10 Coffee Break in the Exhibit Hall with Poster Viewing Biology, Harvard Medical School The molecular targets of drugs can sometimes, but not always, 10:40 Incorporating Ligand Polarisation in Binding Free Energy Calculations be identified amongst genes that confer drug resistance when Jonathan W. Essex, Ph.D., Professor, Head, Computational Systems overexpressed. We quantitatively overexpressed genes encoding Chemistry, Chairman, Institute for Complex Systems Simulation (ICSS),known antibiotic targets and observed that drug resistance does not only increase; School of Chemistry, University of Southamptonit can remain unchanged, decrease, or even have a non-monotonic dependence on While the methods underpinning the calculation of protein-ligandtarget expression. These diverse effects are explained by simple models considering binding free energies are well understood, accurate calculations aregene toxicity and drug-induction of harmful target-catalyzed reactions. The relation still fundamentally limited by inadequate sampling of the protein-ligand complex,between drug resistance and target expression may reveal unexpectedly complex and inaccurate modeling of the associated intermolecular interactions. To addressmechanisms of drug action. the second issue, we have developed a simple and computationally inexpensive correction to the calculated free energies based on a hybrid quantum mechanics/5:00 Close of the Day molecular mechanics approach. In this presentation, the method will be described and its performance assessed in the calculation of small and drug-like molecules’ free energies of hydration, and on the calculation of protein-ligand binding affinities Dinner Short Course (June 19, 6:00-8:00 pm)* in neuraminidase, CDK2 and COX2. Structure-Based Drug Design for Epigenetic Targets Johnathan R. Whetstine, Ph.D., Assistant Professor of Medicine, Harvard Medical School Philip Fallon, Ph.D., Senior Medicinal Chemist, Domainex Ltd. *Separate registration required. ••• 3
  • 11:10 Site Identification by Ligand Competitive Saturation (SILCS): Structure- a significant portion of the total binding energy, and thus represent opportunities Based Free Energy Computational Approach for Ligand Discovery for ligand design. Computing desolvation energetics typically requires lengthy simulations, but this talk presents a fast and easy-to-use method (3D-RISM) which and Optimization computes desolvation energies in minutes, without using explicit simulations. Alexander D. MacKerell, Jr., Ph.D., Grollman-Glick Professor of Application to ligand optimization is demonstrated using case studies. Pharmaceutical Sciences, Director, Computer-Aided Drug Design Center,School of Pharmacy, University of Maryland 3:10 Refreshment Break in the Exhibit Hall with Poster ViewingThe Site Identification by Ligand Competitive Saturation (SILCS) method usesexplicit solvent all-atom molecular dynamics simulations to identify binding sites 3:40 Characterizing and Exploiting the Solvation of Protein Surfaces foron proteins for functional group classes based on rigorous free energy criteria thatincludes protein flexibility and fragment desolvation. Information from the SILCS Applications in Drug Design and Discoveryapproach, termed FragMaps, may be used for the identification of novel ligands Tom Kurtzman Young, Ph.D., Assistant Professor, Department of Chemistry, Lehmantargeting protein, including de novo ligand design. In addition, the SILCS method College, CUNYmay be combined with structural information on a ligand-protein complex to The displacement of water from a binding site by a ligand is a principal, and oftenfacilitate modification of the ligand to improve its binding affinity. dominant, source of binding free energy. In recent years, a number of techniques based on Inhomogeneous Solvation Theory have been developed that map out the11:40 Blurring to Bring Binding Free Energies into Focus solvation thermodynamics of protein binding sites (STOW, WaterMap, GIST). We outline the physical basis of these mapping techniques and present some possible Kenneth M. Merz, Jr., University of Florida Research Foundation Professor, applications in drug discovery and design. Edmund H. Prominski Professor of Chemistry, Department of Chemistry, Quantum Theory Project, University of Florida 4:10 Mapping Protein Surfaces with MixMD to Identify New Binding Sites Docking calculations coupled with binding free energy estimates (scoring) are a mainstay of structure-based drug design. This talk Heather Carlson, Professor, Medicinal Chemistry, University of Michiganaddresses how to use ensemble principles to estimate and reduce uncertainty of Mixed-solvent molecular dynamics (MixMD) is an emerging technique incomputed binding free energies. We have developed methods to evaluate potential structure-based drug design (SBDD). The most significant benefits are thefunction error and in this talk we will demonstrate how to use this knowledge to ability of a protein to adapt in the presence of a probe and the identificationimprove the outcome of a docking and scoring exercise. This was accomplished via of binding sites where organic molecules specifically out-compete water.the development of novel scoring approaches that employ statistical mechanical Rather than ignoring the complicated role of water as most SBDD methods do, it is trulyprinciples and are coupled with error propagation. Importantly, our approach yields embraced in MixMD. Blinded, experimental validation of the method will be energies as well as estimates of the random and systematic errors in thesequantities, providing insight into the reliability of the computed free energies. 4:40 The Potency-Insolubility Conundrum in Drug Discovery: Mechanism and Solution for Hepatitis C Inhibitors12:10 pm Luncheon Presentation (Opportunity Available) Patrick R. Connelly, Ph.D., Principal Scientific Fellow, Vertexor Lunch on Your Own Pharmaceuticals, Inc. As compounds are optimized for greater potency during GPCR pharmaceutical discovery, their aqueous solubility often decreases, making them less viable as orally-administered drugs. The potency-insolubility1:30 Chairperson’s Remarks conundrum has prompted speculation, concern, and attempts to taxonomize the problem or overcome it technologically. However, a fundamental molecular connection between binding potency and aqueous insolubility has yet to be1:40 An Automated Pipeline for the Modeling and Simulation of GPCRs: elucidated. By examination of the structural and thermodynamic properties Applications to Structure-Based Drug Design of telaprevir, a sparingly soluble inhibitor of the NS3 protease of the Hepatitis Hugo Gutierrez-de-Teran, Ph.D., Parga Pondal Research Fellow, C virus, it is revealed that potency and insolubility share a common origin. A Bioinformatics, Public Galician Foundation of Genomic Medicine design strategy based on supramolecular graph set considerations provides a The recent advances in membrane protein crystallography have generalizable solution to the conundrum. provided extremely valuable structural information of the superfamilyof G-protein-coupled receptors (GPCRs). Recently, we have developed GPCR- 5:10 Welcome Reception in the Exhibit Hall with Poster ViewingModSim (, a web-based, automated pipeline to generate high-quality 3D models of the remaining GPCRs and to perform molecular dynamics(MD) simulations with an explicit representation of the cellular membrane, 6:30 End of Daystructural water, cholesterol or lipid molecules. With this computational tool,research groups without prior experience in computational chemistry can set up FRIDAY, JUNE 21ambitious projects on SBDD in GPCRs in a systematic and comprehensive way. 7:30 am Breakfast Roundtable Discussions2:10 How Drugs Bind and Control Their Targets: Characterizing GPCR Signaling through Long-Timescale Simulation FRAGMENT-BASED DRUG DESIGN Ron O. Dror, Senior Research Scientist, D. E. Shaw Research One-third of drugs act by binding to G protein–coupled receptors 8:30 Chairperson’s Remarks (GPCRs) and either triggering or preventing receptor activation, but the process by which they do so has proven difficult to characterize either 8:40 Case Histories of Recent Fragment-Based Drug Discovery Projectsexperimentally or computationally. Anton, a special-purpose machine that wedesigned to accelerate molecular dynamics simulations by orders of magnitude, Christopher W. Murray, Ph.D., Vice President, Discovery Technology, Astexhas enabled simulations in which drugs spontaneously associate with GPCRs Pharmaceuticalsto achieve bound conformations that match crystal structures almost perfectly. Here we describe some case histories of applying fragment-basedAnton simulations have also captured transitions of a GPCR between its active and drug discovery to challenging drug targets. This will include the designinactive states, allowing us to characterize the mechanism of receptor activation. of protein-protein interaction inhibitors of IAP family proteins and theOur results suggest opportunities for the design of drugs that achieve greater design of allosteric inhibitors of full-length NS3 proteins from the Hepatitis C Virus.specificity and control receptor signaling more precisely. The presentation will discuss the difficulties associated with applying fragment- based drug discovery to challenging target classes and will discuss ways in which these can be mitigated. WATER & SOLVATION IN DRUG DESIGN2:40 Exploiting Solvent Effects in Drug Design and Optimization Sponsored by 9:10 Computational Protein Mapping to Drive the Development of FragmentChris Williams, Ph.D., Principal Scientist, Chemical Computing Group Hits into LeadsUpon ligand binding, solvent molecules around the binding pocket Sandor Vajda, Ph.D., Professor of Biomedical Engineering and Chemistry, Director,and the ligand become displaced or rearranged. These desolvation energies can be Biomolecular Engineering Research Center, Boston University ••• 4
  • Fragment-based drug design (FBDD) starts with finding fragment-sized compounds A promising way to interfere with biological processes is through the control ofthat are highly ligand efficient and can serve as a core moiety for developing protein-protein interactions by means of small molecules. Recent advances in thehigh-affinity leads. Although the core-bound structure of a protein facilitates the understanding of the energetics and dynamics of protein-binding interfaces openconstruction of leads, effective design is far from straightforward. We show that up a way to apply rational design approaches for finding protein-protein interactionprotein mapping, a computational method developed to find binding hot spots, modulators (PPIM). Here, we successfully identify small-molecule inhibitors of theprovides information that complements the fragment screening results and can dimer to tetramer transition of the NHR2 domain within the RUNX1/ETO fusiondrive the evolution of core fragments into larger leads with a minimal loss or, in protein, a novel target for the treatment of acute myeloid leukemia.some cases, even a gain in ligand efficiency. 2:30 Structure-Based Guided Development of Focused Chemical Library9:40 Determination of Binding Poses, Kinetics and Energetics in Fragment- Dedicated to Orthosteric Modulation of Protein-Protein Interactions Based Design Xavier Morelli, Ph.D., Group Leader, Cancer Research Center of Marseille, Gianni De Fabritiis, Ph.D., Computational Biophysics Laboratory (GRIB- CNRS IMIM), Universitat Pompeu Fabra, Barcelona Biomedical Research Park This talk will address some challenging issues: biological and (PRBB) chemical spaces of PPI with known orthosteric inhibitors, ligandability assessment of protein-protein interactions, design and validation of chemical libraries dedicated to PPIs.10:10 Coffee Break in the Exhibit Hall with Poster Viewing 3:00 Refreshment Break10:40 The Tip of the Iceberg and the Chemical Universe: Fuzzy Hit Finding Under Synthetic Feasibility Conditions EPIGENETIC TARGETING Carsten Detering, Ph.D., CEO, BioSolveIT, Inc. We have come up with a method that addresses the problem of 3:15 Design and Develop Bromodomain Inhibitor for Cancer Therapy crowded patent space. It captures existing available chemistry in a Jun Qi, Ph.D., Senior Research Scientist, Medical Oncology, Dana-Farber company and thus allows the researcher to fuzzily search in a larger Cancer Instituteportion of the chemical universe available to him/her. Results are returned with In cancer, epigenetic proteins are promising and intensely studiedtheir underlying chemical synthesis, which renders retro-synthesis unnecessary. targets for therapeutic drug discovery. Among the chromatin-Time saved can be invested in other Medicinal Chemistry efforts. The talk will modifying enzymes, so-called epigenetic “writers” “readers” and ,highlight the method as well as several application examples. “erasers” chromatin-binding modules or epigenetic “readers” have received , comparatively little attention perhaps owing to perceptions regarding the difficulty of targeting protein-protein interactions. Motivated by this challenge, we have11:10 Advances in Predicting Protein-Protein Binding Sponsored by developed first-in-class, drug-like inhibitors of “bromodomain and extraterminal Affinity and Protein Stability domain” epigenetic readers (BETs) for mechanistic study and therapeutic Woody Sherman, Ph.D., Vice President, Applications application in cancer. We are continuously integrating the transcriptional Science, Schrodinger, Inc. consequences of BETi with changes in the epigenomic landscapes of cancer cells to elucidate the mechanisms underlying response to BETi using chemical and genetic perturbations.11:40 Sponsored Presentation (Opportunity Available) 3:45 The Impact of Structural Data on Epigenetic Probe Discovery for the12:10 pm Luncheon Presentation (Opportunity Available) Public Domainor Lunch on Your Own Dafydd Owen, Ph.D., Associate Research Fellow, Biotherapeutics Worldwide R&D, Pfizer Worldwide Medicinal Chemistry PROTEIN-PROTEIN INTERACTION Research into the role of epigenetics in disease could be significantly accelerated if cell-active chemical probes for such targets were1:25 Chairperson’s Remarks available to the research community, through a collaborative, open- innovation model. Pfizer is a member of a public-private partnership led by the1:30 How Does a Small-Molecule Inhibitor Bind at the Protein-Protein Structural Genomics Consortium (SGC) to help identify a suite of high-quality chemical probes for epigenetic targets. This partnership is unique in that it brings Interface of Interleukin 2? the medicinal chemistry expertise within industry together with biological expertise Yibing Shan, Senior Scientist, DE Shaw Research in academia to drive basic research in an emerging area of important biology of potential relevance to many diseases. The impact of structural biology on probe discovery will be presented.2:00 From Determinants of RUNX1/ETO Tetramerization to Small-Molecule 4:15 Closing Remarks Protein-Protein Interaction Inhibitors Targeting Acute Myeloid Leukemia 4:30 End of Conference Holger Gohlke, Ph. D., Professor, Institute of Pharmaceutical and Medicinal Chemistry, Heinrich-Heine-University, DüsseldorfSponsoring Society: Media Partners:Media Sponsor:5 •••
  • Sponsorship & Exhibit CHI offers comprehensive sponsorship packages which include presentation opportunities, exhibit space and branding, as well as the use of the pre- and post-show delegate list. Sponsorship allows you to achieve your objectives Information before, during, and long after the event. Any sponsorship can be customized to meet your company’s needs and budget. Signing on earlier will allow you to maximize exposure to hard-to-reach decision makers.Agenda PresentationsShowcase your solutions to a guaranteed, highly-targeted audience.Package includes a 15- or 30-minute podium presentation within Looking for additional ways tothe scientific agenda, exhibit space, on-site branding and access tocooperative marketing efforts by CHI. drive leads to your sales team? CHI can help with custom leadBreakfast & Luncheon PresentationsOpportunities include a 30-minute podium presentation. Boxed lunches generation programs!are delivered into the main session room, which guarantees audienceattendance and participation. A limited number of presentations are We offer clients numerous options for custom lead generation programs toavailable for sponsorship and they will sell out quickly. Sign on to address their marketing and sales needs. Some of our programs include: livesecure your talk! webinars, white papers, market surveys, podcasts, and more!Invitation-Only VIP Dinner/Hospitality Suite Benefits of working with CHI for your leadSponsors will hand-pick their top prospects from the conference generation needs:pre-registration list for an evening of networking at the hotel or at a • Your campaign will receive targeted promotion to CHI’s unparalleledchoice local venue. CHI will extend invitations and deliver prospects. database of over 800,000 individuals, all of which are involved inEvening will be customized according to sponsor’s objectives (i.e. all sectors of the life sciences – lists can be segmented based onpurely social, focus group, reception style, or plated dinner with geography, research area, title and industryspecific conversation focus). • All custom lead generation programs are promoted through our experienced marketing team that will develop and drive targetedFocus Groups campaigns to expand awareness and bolster leadsCHI can help you organize and execute a focus group on site. This • For our webinar programs, we offer assistance in procuring speakers forexclusive gathering can be useful to conduct market research, gain your web symposia through our extensive roster of industry recognizedfeedback on a new product idea, and gather marketing intelligence from speakers across multiple disciplines within life sciences, as well asindustry experts on a specific topic. Please inquire for more details. provide an experienced moderator and dedicated operations team to coordinate all effortsUser Group Meeting • If choosing a white paper program, we can offer editorial experience andCo-locate your user group with the Structure-Based Drug Design provide an industry-recognized author to write your white paperconference. CHI will help market the event, manage logisticaloperations, develop an agenda, and more. CHI can handle the entiretyof the meeting, or aspects of your choice.Exhibit InformationExhibitors will enjoy facilitated networking opportunities with qualifieddecision-makers at the Structure-Based Drug Design conference, makingit the perfect platform to launch a new product, collect feedback and For additional sponsorship &generate new leads. Exhibit space sells out quickly, so reserve yourstoday! exhibit information, please contact:Additional Promotional Opportunities Include: • Conference tote bags Jon Stroup • Badge lanyards • Tote bag inserts of company literature Manager, Business Development • Padfolios 781-972-5483 • Keynote chair drop of company literature • Session room chair drop of company literature • Program guide sponsor • Poster abstract book sponsor ••• 6
  • Hotel & TravelInformation Past Attendee Testimonials: “The selection of speakers andConference Venue and Hotel: presentations strongly demonstratedThe Revere Hotel the expansive breadth and impact of structure-based drug design.” - Director of Bioinformatics,200 Stuart Street, Boston, MA 02116 ActivX BiosciencesTel: (617) 482-1800 “Very, very interesting and useful.”Discounted Room Rate: $249 s/d - Team Leader, Molecular Modelling,Discounted Reservation Cut-off Date: May 17, 2013 CNRS-ICSNPlease visit our website to make your reservations “Good-quality up-to-date presentationsonline, or call the hotel directly to reserve your made this a stimulating and informativesleeping accommodations. You will need to identify conference.”yourself as a Cambridge Healthtech Institute - CSO, De Novo Pharmaceuticals Ltd.conference attendee to receive the discountedroom rate with the host hotel. Reservations made “Some discussions inspired new ideas I amafter the cut-off date or after the group room block going to try.”has been filled (whichever comes first) will be - Senior Research Fellow, Merckaccepted on a space-and-rate-availability basis.Rooms are limited, so please book early. “Thanks to the organizers, it’s a very exciting conference. It’s very interesting to listen to all the talks. Some discussions inspired new ideas that I’m going to try!” - Senior Research Fellow, Molsys, Merck “Some important principles were highlighted with regard to the computational problem of describing ligand binding and the computational problem of describing Flight Discounts: ligand binding and drug-likeliness; and the best thing was that the speakers could Special discounts have been established with demonstrate that working solutions are American Airlines. beginning to emerge.” Please use one of the following methods: - Computational Chemist, • Call American Airlines at 1-800-433-1790 and Bayer HealthCare use Conference code 4463BU “Some very important principles were • Go to and enter 4463BU in highlighted and the best thing was that the promotion discount box the speakers could demonstrate working • Contact our dedicated travel agent, solutions.” Rona Meizler at 1-617-559-3735 or - Computational Chemist, Bayer HealthCare “It was great – best conference I’ve been to.” Car Rental Discounts: - Scientist, Prothana, Inc. Special rental discounts have been established with “A useful meeting where I gained more Hertz for this conference. insights and ideas to apply in my own research.” • Go to and use our Hertz - Chemistry Specialist, Convention number (CV): 04KL0003 Catholic University Leuven • Call Hertz at 1-800-654-3131 and use our Hertz Convention Number (CV):04KL0003 ••• 7
  • Cambridge Healthtech Institute and Bio-IT World’s Thirteenth Annual June 19-21, 2013 Structure-Based The Revere Hotel Boston, MA Drug DesignPricing and Registration Information Receive a FREE eNewsletter by signing upDINNER SHORT COURSE at Academic, Government,June 19 • 6:00pm-8:00pm Commercial Hospital-affiliated The latest industry news, commentary and highlights from Bio-IT WorldStructure-Based Drug Design for Epigenetic Targets $495 $295 Innovative management in clinical trialsConference Pricing(Excludes short course) A series of diverse reports designed toEarly Registration until March 22, 2013 $1745 $845 keep life science professionals informed of the salient trends in pharmaceuticalAdvance Registration until May 10, 2013 $1895 $925 technology, business, clinical development, and therapeutic disease markets.Registrations after May 10, 2013, and on-site $2095 $995 For a detailed list of reports, visit, or contact Rose LaRaia,, +1-781-972-5444.Special Package Pricing(Includes access to Structure-Based Drug Design & Next-Gen Kinase Inhibitors, excludes short course) Barnett is a recognized leader in clinicalEarly Registration until March 22, 2013 $2995 $1495 education, training, and reference guides for life science professionals involved inAdvance Registration until May 10, 2013 $3145 $1565 the drug development process. For more information, visit after May 10, 2013, and on-site $3345 $1585Conference Discounts Cambridge Healthtech Associates™ (CHA™) uses its collaborative model toPoster Submission-Discount ($50 Off) improve the speed and economics of lifePoster abstracts are due by May 10, 2013. Once your registration has been fully processed, we will send an email containing a unique link sciences R&D, leveraging its consulting,allowing you to submit your poster abstract. If you do not receive your link within 5 business days, please contact technology evaluations and communities. Visit*CHI reserves the right to publish your poster title and abstract in various marketing materials and products.International Society for Computational Biology (ISCB) Member- Discount 10% Off Additional registration detailsSubject to verification. Each registration includes all conferenceREGISTER 3 - 4th IS FREE: Individuals must register for the same conference or conference combination and submit completed registration form together ­ sessions, posters and exhibits, food functions, and access to the conferencefor discount to apply. proceedings link.Additional discounts are available for multiple attendees from the same organization. For more information on group rates, contact Handicapped Equal Access: In accordance with the ADA, Cambridge HealthtechDavid Cunningham at +1-781-972-5472. Institute is pleased to arrange special accommodations for attendees with If you are unable to attend but would like to purchase the Structure-Based Drug Design CD for $350 (plus shipping), please visit special needs. All requests for such Massachusetts delivery will include sales tax. assistance must be submitted in writing to CHI at least 30 days prior to the start of the meeting. Eleventh Annual To view our Substitutions/ BEST VALUE! CO-LOCATED Next-Gen June 17-19 Register for both conferences at a Cancellations Policy, go to Video and or audio recording of any kind EVENT Kinase Inhibitors special rate. is prohibited onsite at all CHI events. Moving Towards a Successful Pipeline How to Register: Please use keycode SBD F • P: 781.972.5400 or Toll-free in the U.S. 888.999.6288 when registering!