Day Two: Tuesday, September 26, 2006

7:30am Registration and Morning Coffee

8:30 Chairperson’s Opening Remarks

Keynote Session 1: 8:45 Blurring the Boundaries: Bridging Technology with Discovery, Development and Clinical Dr. Gerhard Noelken, Director Research Informatics, Research Informatics, Pfizer Global R&D

Keynote Session 2: 9:30 Use of Modeling and Simulation from Preclinical to Commercial Stages: Case Study in Therapeutic Development  In order to maximize the value and information derived from preclinical experimentation, a single cynomologus monkey study was conducted encompassing pharmacokinetic, pharmacodynamic and toxicity endpoints to evaluate a candidate therapeutic monoclonal antibody. The objective of the study was to characterize the onset and duration of drug effect, as well as time to recovery of clinically validated biomarkers, then link the findings to systemic drug exposure levels. The biological processes were translated into a mathematical and statistical framework then combined with advanced Monte Carlo simulation algorithms in order to create a new sophisticated simulation program. This program was applied to validate the proposed biological mechanism of action, optimize the designs of all further experiments, and increase confidence in decision making (go/no go) during the early stages of development. In addition, it provided quantitative assessment of the probability of having a successful drug with respect to both efficacy and commercial potential. The presentation will cover the following topics: Partnering of pharmacokinetic/pharmacodynamic modeling mathematicians with nonclinical pharmacology and toxicology scientists to improve success in drug development Combination of pharmacokinetic/pharmacodynamic/toxicity data and model simulation to optimize systemic exposure of a new drug Understand how to utilize biological data and model simulations for making go/no go decisions Use of Monte Carlo Simulation algorithms to better understand the biological processes and assess commercial opportunity Serge Guzy, PhD, Senior Scientist II, XOMA, LLC Kathleen Meyer, MPH, PhD, DABT, Director, Toxicology, XOMA, LLC

10:15 Networking Coffee Break and Exhibit Viewing

 

11:15 Facilitating Drug Discovery and Development Interactions  Drug discovery and drug development traditionally have  been two distinct fields of study. Recently many organizations have begun to realize the potential application of drug discovery technologies in drug development. For example, high-throughput (HT) technologies which were pioneered in discovery a decade ago are now becoming commonplace in development settings. These automation technologies share common strategies for carrying out assays, including pipetting, dispensing of solids, incubation, sampling, analysis, and reporting. As such, similar supporting informatics technologies and strategies can be applied across discovery and development, thereby facilitating a closer interaction between these departments.  New approach to information management for discovery and how it can be applied in a development organization Advantages and challenges involved Dimitris K. Agrafiotis, PhD, Senior Research Fellow and Team Leader of Molecular Design & Informatics, Johnson & Johnson Pharmaceutical Research & Development, LLC Adam M. Fermier, PhD, Principal Scientist, Johnson & Johnson Pharmaceutical Research & Development, LLC

 

12:00pm Applying in silico PK Modeling for Predicting Preclinical Drug Efficacy in Oncology Pharmacological studies in Oncology, central to making critical go/no go decisions, routinely entail significant time and resources. In order to streamline the process and analysis outputs, XOMA employs innovative in silico modeling and simulation tools based on population statistics to aid both preclinical and clinical studies. In this exemplary study we characterized the dose response relationship with minimum in vivo experimentation. A single dose escalation in vivo study was performed. The biological processes (tumor growth, binding of drug to target and Pharmacokinetics of the drug) were translated into a mathematical framework using the data from the study. This led to the identification of the model parameters which were utilized for further optimal experimental design, i.e. maximum efficacy and minimal toxicity. This study exemplifies the use of IT resources (hardware, software and modeling) to support, interpret and streamline pharmacological experiment. Use embedded IT resources together with population statistics experts to co develop prototype systems to support biology initiatives leads to better management of limited resources  The use of IT tools to optimize in vivo biological experimentation for  critical decision-making  Effective utilization and adaptation of in silico modeling to support Pharmacology Seema Kantak, PhD, Director, Pharmacology, Preclinical Research & Development, XOMA, LLC Serge Guzy, PhD, Senior Scientist II, XOMA, LLC

12:45 Lunch on Your Own (Sponsorship Available)

 

2:00 Human as a “Bridge” between Drug Discovery and IT: In silico Screens and Tools for ADME/Tox In today’s information age, IT functions are essential in pharmaceutical  industry, which is under extreme pressures to enhance productivity and cut costs associated with discovery and development of drugs. In order to judiciously and effectively employ limited IT resources we utilized a “human bridge” conversant with IT and ADME in getting only those tools developed that, on one hand, conform to the IT infrastructure of the organization and, on the other, enhance productivity of bench scientists. The session will focus on one such tool, visdom – visual in silico design of molecules. Application of visdom in reducing the number of compounds that are  synthesized and the number of ADME assays that are conducted Implementation of visdom as an integral part of the discovery process spanning acquisition of compounds through lead optimization Vijay Gombar, PhD, Research Advisor, Eli Lilly and Co. Jeffrey W. Cramer, Research Scientist, Lilly Research Laboratories, Eli Lilly and Co.

 

2:45 Incorporating in situ/in silico Approaches for Developing Supreme and Desirable Drug Products Application of computation/simulation technology during drug discovery and development has the potential to decrease the length of time and accelerate the product development prior to NDA submission, and most importantly to reduce the number of experimental trials required for pharmaceutical screening and selection. Session highlights will be presented on exploiting modern new information technologies and molecular pharmaceutics approaches for optimizing the processes of drug development in bridging the management, scientists, clinical researchers, and the informatics staffs.  Brief introduction of strategies and logistics of modeling and simulation  Blend of a novel approach of using in situ gastrointestinal absorption/metabolism model with in silico methods Enlightenment of developing tailor-made evaluation simulation models for optimum pharmaceutical and clinical designs and practices Highlights of a few examples Dr. Dongzhou Liu, Principal Investigator, Product Research & Development, Forest Labs

3:30 Networking Refreshment Break and Exhibit Viewing

 

4:15 Drug Metabolism in silico: Using SNPs and Software to Understand Metabolites Roche Pharmaceuticals has developed a large database cataloging genetic differences in inbred mouse strains. This database is used to predict genetic factors involved in disease susceptibility, response to treatment, toxicogenomics, and drug metabolism. In this session, methods for examining a genetic database are introduced, with the specific application of how a drug is metabolized in vivo. It is then shown how the computational use of genetic information leads to a greater understanding of an experimental result. The ultimate aim of the work is to apply personalized medicine in the clinic using genetic and computational approaches.  How to build a genetic database What predictions can be made using SNP data How variations in drug response is a critical aspect of future phama What is the current state of pharmacogenomics Jonathan Usuka, PhD, Department Head, Genome Informatics, Roche Palo Alto

5:00 Executive Roundtables
Concurrent roundtables to discuss some of the more broad yet poignant questions facing the industry. Each roundtable will be limited to twelve (12) participants
and a facilitator.

1. Semantic Web
2. Emerging Standards in Biomedical Informatics
3. Auditing Software Vendors
4. Interoperability of Data Integration and IT Databases
5. EDC
6. Knowledge Management, Learning Networks, and Collaboration Tools
7. Building an In-house Dictionary to Clarify Communication Between and End-users
8. Assay Design with Data Endpoints in Mind
9. To Outsource or Not to Outsource?
10. Choosing the Right Project Management Model

6:00 Networking Reception and Exhibit Viewing 

7:00 Close of Day Two

Day Three: Wednesday, September 27, 2006

8:00am Registration and Morning Coffee

8:30 Chairperson’s Opening Remarks

8:45 PLENARY SESSION – ROUNDTABLE FINDINGS
Executive Panel: Roundtable Synopsis and Findings
Each roundtable group will designate a leader to sit on a panel and present a short summary of their discussion. A moderator will then open a discussion amongst all attendees addressing the most critical questions facing the industry.

9:45 Networking Coffee Break and Exhibit Viewing

 

10:45 Integrating ADME Data into ABCD Informatics Platform In 2005 J&J had unveiled a new unified informatics platform for drug discovery known as ABCD. ABCD combines advanced database components with the state of the art desktop tools that allow user to perform all informatics operations within the same integrated environment. Over the past year this platform has been substantially expanded to handle even more informatics needs in drug discovery operations. A case study will describe several ADME assays where ABCD platform provides means for request submission and management, tools for experimental data analysis and upload, as well as integrating query and reporting capabilities. Overview of the J&J PRD’s ABCD informatics platform  Introduction to ADME operations at the Spring House site  Integration of request submission, request management, data analysis and upload  Accessing ADME results via ABCD Norman D. Huebert, PhD, ADME Team Leader, Johnson & Johnson Pharmaceutical Research and Development, LLC Victor Lobanov, PhD, Principal Scientist, Johnson & Johnson Pharmaceutical Research and Development, LLC

11:30 Technology Spotlights 

12:15pm Networking Luncheon

1:45 Plenary Session – Solutions Provider Panel 

Keynote Session 3: 2:30 In-housing the Outsource: Rapid Co-Evolution of a Discovery-Computational Team to Drive Innovation Michael Hanley, PhD, Vice President of Discovery Research, Amylin, Inc. Robert D. Feinstein, PhD, VP & CSO, Kelaroo, Inc. In-housing the Outsource: Rapid Co-Evolution of a Discovery-Computational Team to Drive Innovation Amylin Pharmaceuticals is a fully integrated biopharmaceutical company experiencing rapidgrowth. In such growth scenarios, staffing to meet personnel demand is a challenge. Amylin hastaken a new approach of building expertise rapidly. We have partially in-housed an entrepreneurial private company, Kelaroo, to provide an innovation module for diverse internal informatics needs.The Amylin-Kelaroo relationship started in 2000 as a typical arrangement between a professional services provider and client, with an emphasis on the integration and customization of 3rd party chemical and biological data management solutions germane to pharmaceutical research. The relationship has evolved to include multiple custom application development projects driven by teams of scientists from both companies. These projects, one of which will be presented in detail, exemplify the benefits of fostering out-of-the-box long-term relationships between pharmaceutical companies and informatics innovators. Michael Hanley, PhD, Vice President of Discovery Research, Amylin, Inc. Robert D. Feinstein, PhD, VP & CSO, Kelaroo, Inc.

Keynote Session 4: 3:30 Aligning Technology with Science: How Clinical Data Feeds Back into the Discovery and Development Process Anastasia M. Khoury Christianson, PhD, Director and Global Skill Leader, Discovery Medicine Informatics, AstraZeneca R&D

Keynote Session 5: 4:15 Democratizing the Discovery Process The public sector has invested billions of dollars per year over the past decade to advance technologies that will fundamentally change the discovery process. Yet, realistic assessment of today’s industry shows that very little has really changed. This talk will briefly explore the evolution of enterprise software and extract lessons for information systems that will fully exploit discoveries in life sciences. A partnership model for accelerating the progress of digital biology will be presented along with a case study in collaboration toward advancing translational medicine. Differences between life sciences and traditional IT applications Prescriptive guidance for speeding development of effective applications User feedback from the Scripps Collaborative Molecular Environment Don Rule, MBA, Platform Strategy Advisor for Bioinformatics, Microsoft Corporation

5:00 Wrap-Up and Take-Aways

5:15 Close of Conference