The NIMH Psychoactive Drug Screening Program and Collaborative Drug Discovery Provide a Chemically Searchable GPCR
News Oct 22, 2008
Collaborative Drug Discovery, Inc. (CDD), in partnership with the NIMH Psychoactive Drug Screening Program (PDSP) directed by Dr. Bryan L. Roth at the University of North Carolina Chapel Hill, announced that CDD's web-based software now hosts the largest open-access chemical sub-structure and similarity searchable G-Protein Coupled Receptor (GPCR) Ki database.
The PDSP Ki database of 47,312 inhibitor equilibrium dissociation constants (Ki values) for 699 receptor targets is now available as a structure searchable database in the CDD Web 2.0 collaborative research information system.
The PDSP Ki database is a resource in the public domain which provides information on the abilities of drugs to interact with an expanding number of molecular targets.
The Ki database serves as a data warehouse for published and internally-derived Ki, or affinity, values for a large number of drugs and drug candidates at a growing number of G-protein coupled receptors, ion channels, transporters and enzymes.
"The PDSP Ki database web site, hosted by the University of North Carolina Medical Center, received about 1 million hits in the last year," said Dr. Bryan Roth, PDSP Project Director and Professor of Pharmacology. This data is now available with chemical structure searching in the CDD system for everyone to view. Adds Dr. Roth, "The CDD Database is an extremely elegant platform. I highly recommend it for anyone generating drug discovery data."
"It is a privilege to work with Dr. Bryan Roth to provide open access to the PDSP Ki data via the CDD platform," said Dr. Barry Bunin, President of Collaborative Drug Discovery. "CDD provides the PDSP Ki data in a traditional structure/SAR mineable database combined with novel-to-the-world secure, collaborative public and private data integration capabilities. With ~40% of all small molecule drugs acting on GPCR targets, this will help the research community develop new drugs and better predict potential drug off target related side effects and likely drug-drug interferences."
The PDSP Ki database joins 12 other publicly available data sources in the CDD system with chemical and biological data for over 40,000 compounds including:
• 1,700 FDA approved drugs with indications and sponsors
• Over 15,000 compounds with Malaria assay data from 5 public data sources
• More than 850 compounds with Tuberculosis antibacterial activity information
• A Data Set of almost 3,500 Natural Products and Derivatives
• 25,000 plus compounds available for purchase.
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