Introducing ChemNavigator's New Virtual Screening Package - A complete solution for using virtual screening to identify novel active compounds for your drug target.
The Virtual Screening Package allows scientists to perform:
- Protein Site Analysis: Analyze 3D protein models of your drug target for potential binding regions.
- Fast, Flexible, Exhaustive Docking: 3D Dock/search millions of compounds from the iResearch™ Library for those likely to bind the binding regions identified on your protein target.
- Focused Library Acquisition: For structures identified by virtual screening, select and acquire chemical samples for testing in your laboratory using our optional Chemistry Procurement Service.
- Develop Structure Activity Relationship Models: Perform post testing cheminformatics analysis on active compounds to identify common patterns such as the maximum common substructure with R-group deconvolution.
The New Virtual Screening Package includes:
- 3DPL™: A one-year license to use ChemNavigator 3-Dimensional Protein Ligand interaction analysis (3DPL) software on a properly configured Windows™ computer server. 3DPL provides both binding site detection and automated 3D docking/searching of small molecules against the surface of your 3D protein target. The 3DPL algorithm applies a combination of flexible 3D searching and automated docking techniques. 3DPL can reach speeds of up to 30 ligands per second covering all potential binding sites on the surface of a 3D protein.
- iResearch Library VS: A one-year license to the iResearch Library VS, ChemNavigator's virtual screening ready 3D library of over 13 million structures representing over 21 million screening compound offerings. The iResearch Library VS is delivered in addition to the standard full chemical sourcing version of the iResearch Library.
- CncTranslate Utility: A one-year license to ChemNavigator's CncTranslate software to allow scientists to prepare their own proprietary 3D libraries of small molecules for virtual screening.
- CncMCS Analysis Utility: A one-year license to ChemNavigator's software for rapidly identifying maximum common substructures within a series of active compounds. This enables scientists to easily perform R-Group analysis and identify which subgroups appear to contribute to biological activity.
- Scientific Consulting: With this package, ChemNavigator provides a free initial scientific consultation to help your scientist learn how to prepare 3D protein targets and perform virtual screening.
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Chemistry Procurement Service: Under the annual Virtual Screening package program, your company will have the option to use ChemNavigator's Chemistry Procurement Service. This service offers rapid and cost effective chemical library procurement of the compounds identified in your virtual screening studies.
Contact us for information on Virtual Screening Package.
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New Academic Access Program Well Received at
ACS San Diego
ChemNavigator introduced a new Academic Access Program to our software and database products at the recent American Chemical Society National Conference in San Diego, California. Under this program, ChemNavigator provides free access to our products to qualifying academic researchers for use in noncommercial research projects. We would like to welcome our first members:
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Dr. Martin Herbst, Neuroproteomics group, Max-Delbrück-Centre for Molecular Medicine, Berlin, Germany: The main objective of the group's work is to understand the pathomechanisms of late onset neurodegenerative disorders such as Huntington's, Parkinson's, Alzheimer's and Machado Joseph disease and to develop causal therapies for them. The research group is concerned with the identification of chemical compounds that inhibit aggregate formation in in vitro model systems.
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Dr. Michael K. Gilson group, University of Maryland Biotechnology Institute, Center for Advanced Research in Biotechnology, Rockville, MD: The research program for which the lab will use ChemNavigator is one which aims to develop and apply a method of designing HIV protease inhibitors that will work against wild-type and mutant variants of the enzyme.
- Dr. Brent Stockwell group, Columbia University, Dept. Biological Sciences, New York, NY: Dr. Stockwell's laboratory uses small molecule tools to probe the signaling networks underlying cell death, particularly as it relates to neurodegeneration and cancer. Using cell-based, high-throughput assays, this interdisciplinary team of researchers identifies small molecules that suppress or enhance cell death in the presence of specific mutant alleles. The compounds are subsequently used to create affinity reagents that reveal novel proteins involved in regulating cell death phenotypes.
If you would like to apply for access to the iResearch System or our other products through the Academic Access program please contact ChemNavigator at sales@chemnavigator.com
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Supplier Partner Highlights
ChemNavigator would like to thank its growing list of supplier partners. Our suppliers provide a valuable resource to the drug discovery industry by offering access to millions of drug-like compound samples for use in early drug discovery. We encourage our subscribers to contact suppliers and learn more about how they can contribute to your research programs.
ChemNavigator added 6 new chemistry Suppliers Partners to the iResearch Library during Q1 2005 and added new collections for existing suppliers. As a service to our customers and supplier partners, ChemNavigator now provides updates on recent developments from our supplier partners.
 Life Chemicals (formerly I. F. LAB), with a head office in Burlington, Canada, is proud to celebrate its 10-year anniversary. Established in 1995 in Kiev, Ukraine, the company was launched as a private small business and rapidly expanded to become one of the internationally recognized producers and suppliers of HTS compounds and related services. Life Chemicals maintains its leadership status by integrating cutting-edge chemical knowledge with innovative technology. Recent product developments include GPCR, Ion Channel, Nuclear Receptor, Kinase and Protease targeted libraries. To learn more please visit www.lifechemicals.com.
 Interbioscreen, a leading provider of synthetic and natural screening compounds, is launching a revolutionary virtual screening/ small library generating service. QunatumLead™, developed jointly with Quantum Pharmaceuticals, uses the most advanced chemistry, physics and mathematics models to identify Q-Lead Libraries™.
Each library is a set of compounds, which are ranked according to their constant affinity to a particular disease target. They are designed to allow biotech and pharmaceutical companies to achieve a dramatic acceleration of the drug discovery R&D process by eliminating or reducing the time involved in screening and optimization of hits and leads. To learn more about InterBioScreen, and its portfolio of drug-discovery products and services, please visit www.ibscreen.com.
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ChemNavigator develops and markets scientific software and database technology. Our products and services help pharmaceutical, biotech research and crop protection companies cost effectively discover new biologically active compounds.
Learn more about our products and services.
Learn more about our virtual screening technology and services.
ChemNavigator, Inc.
6126 Nancy Ridge Drive
Suite 117
San Diego, CA 92121
USA
Ph: +1.858.450.9740
Fx: +1.858.625.2377
Toll Free +1.877.477.5720
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