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The Laboratory Robotics
Interest Group Mid Atlantic Chapter |
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The Laboratory Robotics Interest GroupMay 2000 MeetingCombinatorial ChemistryDate: Thursday, May 4, 2000
Agenda:
Presentation: An Automated
Synthesis Approach for Production of Lead Generation Compound Libraries With large number of targets being generated through the recent advancements in genomics, in addition to higher throughput screening capabilities, the need for high quality drug-like molecules is ever increasing. Production of drug-like lead generation libraries possessing high diversity with high synthetic efficiently is challenging researchers involved in this field. Trega has developed a synthetic production procedure to allow for rapid and efficient synthesis of thousands of compounds. The two step process involving the combination of the simple yet robust "tea-bag" manual synthesis and the automated synthesis using custom robotics has enabled Trega to produce over one third of a million high-quality compounds. Despite the fact that combinatorial chemistry is a relatively new field, the strategies for producing high quality libraries have recently changed considerably. Trega's approach in has advanced beyond providing diverse sets of compounds to also include a breath of additional physiochemical information about the compounds produced. Trega's strategy in producing high-value diverse libraries of drug-like small organic molecules, as well as, specific examples of libraries produced will be discussed.
Presentation: Successful Discovery
of New Drug Leads with Large, Designed ECLiPS?Combinatorial Libraries Pharmacopeia has surmounted a number of difficulties of working with large combinatorial libraries, finding potent and "drug-like" leads for various types of drug targets, while minimizing false positives and false negatives and extracting rich structure-activity information. Among the key components for this success: ?ECLiPS?technology, allowing the generation of high quality libraries containing over 6 million individual compounds in under 7 years ?Careful quality control and optimization of the chemistry to ensure library quality ?High-throughput informatics systems to support library design, registration, assay tracking, structure confirmation and follow-up studies ?Computer-aided library design of diverse libraries with "drug-like" properties ?Follow-up projects to turn "hits" into "leads" through design of "focused" ECLiPS and parallel libraries and discrete compounds using structure-based and SAR-based methods The presentation will describe some specific computer tools we have developed or obtained to support our library design and lead optimization efforts.
Presentation: Coelacanth's
Integrated Information System for Combinatorial Libraries, Its Applications to
Quality Control The advent of automated combinatorial chemistry has presented tremendous challenge to the tracking of library planning, synthesis, analytical QC, compound sorting, replication, storage, and testing. To build a highly efficient library production line, we have developed an integrated information system as a foundation of the process. Central to the system is an Oracle chemical database, Coelabase, as the data center for all applications. Business rules are implemented as server objects and directly interact with Coelabase. Specific client applications use these business objects and interface with each step of the library production process. The high-throughput analysis of several thousand compounds per week presents many challenges in respect to data generation, visualization, reporting, and archiving. A quality control process has been implemented that allows for an accelerated analysis rate while maintaining high quality. The analysis of building blocks, intermediates and pilot library compounds requires the design of robust chromatography methods. Data handling is a central issue that has been addressed by our integrated information system, Coelabase. An overview of the Coelacanth quality control process and the manner in which it drives the entire library production process will be discussed.
Presentation: Gandalf:
A Web Based Approach to Managing Synthesis Automation Gandalf is a first generation process-oriented web application designed to lead a chemist step-by-step through the complete BMS automated synthesis process; from the initial picking of reagents through the registration of final products. Gandalf dramatically simplifies the process by configuring and coordinating several other synthesis management applications according to the user's choices. In addition to being an automated synthesis data management tool, Gandalf simplifies the training procedure for chemists who are new to the automated synthesis process.
Poster: A Method of Heating IRORI Kans Using J-KEM Shakers
Poster: Argonaut Technologies
Poster: Automation of Deep Well Plate Washing for Combinatorial
Chemistry Applications
Poster: Parallel Synthesis of an Aminothiazol-Library
Poster: Coelacanth Corporation
Poster: Internet compound search service (ComGenexDirect)
Directions: From the New Jersey Turnpike: -Exit Turnpike at Exit #8 Enter the building through the double glass doors facing Route 571 (Princeton Hightstown Road). From Route 1: -Take Route 571 East off of route 1 in Princeton. Enter the building through the double glass doors facing Route 571 (Princeton Hightstown Road). From Route 130: -Turn onto Route 571 West Marked Princeton Hightstown Road. Enter the building through the double glass doors facing Route 571 (Princeton Hightstown Road). From Garden state Parkway and Points North: Take Either 287 or GS Parkway south to the NJ Turnpike and follow directions from NJ Turnpike. From Pennsylvania and points South: Take Route 295 north to route 130 north and follow directions from route 130. Parking: Parking may be a little tight so if it is possible to carpool that would be great. Nearby Hotels: Marriott at Forrestal Village on Route 1 - 609-452-7900.
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