The ChirBase databases were developed to assist chromatographers with the challenge of selecting the most appropriate methods for chiral separations from the large number of stationary phases and operating conditions available. The databases continue to be maintained and updated with HPLC data by Dr. Christian Roussel and Dr. Patrick Piras at Aix-Marseille, and GC and CE data by Prof. Dr. Koppenhoefer's research group at Tübingen.
The newly formatted ChirBase for ACD/Labs database contains over 100,000 chiral HPLC separations, including data for 30,000 unique structures linked to over 1400 unique chiral selectors. ChirBase/GC for ACD/Labs contains over 24,000 separations for more than 8000 structures, and ChirBase/CE contains information on over 8000 separations for 2000 structures. ChirBase and ChirBase/GC are searchable on all experimental conditions, as well as by structure, substructure, and structure similarity. ChirBase/CE is searchable by structure, substructure, and structure similarity.
Michael McBrien, M.Sc., Chromatography Product Manager at ACD/Labs, states, "Chiral method development remains a bottleneck in the development of drugs and other biologically-active compounds today. We're very excited to be able to provide a tool that helps to alleviate this problem. ChromManager users now have access to the single largest chromatographic knowledge base in the world."
Dr. Piras at UDESAM adds, "This collaboration will allow us to offer to our new and existing users a larger selection of searching strategies and solutions. By combining our experience on chiral technology and data production capabilities with the powerful organization and technology of ACD/Labs, we open exciting new approaches to generate valuable and relevant knowledge from data and consequently to reduce cost and increase productivity during the entire chiral drug discovery and development process."
According to Prof. Roussel at UDESAM, "The field of chiral drug discovery has evolved rapidly over the past two decades due mainly to the changing requirements of the Food and Drug Administration (FDA). Researchers are now using chiral separations more and more as a primary research and production tool to assist drug discovery efforts. ACD/Labs has today the potential to improve the predictive potential of the scientific information available in ChirBase, and make a significant impact on the U.S. market of Chiral Technology currently estimated at $1.2 billion in 2003."
Users of ChirBase, ChirBase/GC, and ChirBase/CE for ACD/Labs will be able to search the database simultaneously with the ACD/Chromatography Applications Database and other ACD/ChromManager-archived methods using ACD/ChromManager as their search tool.
ACD/ChromManager is a state-of-the-art processing and databasing tool that enables convenient storage and retrieval of HPLC, GC, and CE chromatographic methods. The Chromatography Applications Database, included with ACD/ChromManager, contains complete information on 5400 HPLC, GC, and CE separations from major column vendors, including the experimental results. Information about ACD/ChromManager can be found at www.acdlabs.com/chrommanager. Information about ChirBase, ChirBase/GC and ChirBase/CE for ACD/Labs can be found at www.acdlabs.com/chirbase.
Advanced Chemistry Development
Development, Inc., (ACD/Labs) is a chemistry software company offering solutions
that truly integrate chemical structures with analytical chemistry information
to produce ChemAnalyticsTM. ACD/Labs creates innovative software packages that
aid chemical research scientists worldwide with spectroscopic validation of
structures, elucidation of unknown substances, chromatographic separation, medicinal
chemistry, preformulation of novel drug agents, systematic nomenclature generation,
and chemical patenting and publication. Combined, ACD/Labs' solutions create
an analytical informatics system that provides dramatic feed-forward effects
on the chemical and pharmaceutical research process. Founded in 1993, and headquartered
in Toronto, Canada, ACD/Labs employs a team of over 100 dedicated individuals
whose continual efforts carry ACD/Labs' innovative technologies into pharmaceutical,
biotech, chemical, and materials companies throughout the world. Information
about Advanced Chemistry Development and its products can be found at www.acdlabs.com.
the University Paul Cézanne-Aix-Marseille III (UDESAM) and the Mixed
Research Unit of Chirotechnology
The Mixed Research
Unit of Chirotechnology is supported by the CNRS (French National Centre for
Scientific Research). With a current staff strength of 60 research scientists,
Ph.D. students and engineers, our research is dedicated to a broad range of
disciplines related to Chiral Chemistry: asymmetric synthesis (catalysis and
biocatalysis), enzymatic resolution and chiral chromatography. Several industrial
collaborations are targeted to the discovery and development of novel chiral
selectors or ligands that improve the chiral resolution or the synthesis process.