One of the (many) nice things about having Dr. Chris Lipinski on our SAB, is that he sends us EurekAlerts pointing to timely news such as this article highlighted on NIH News “NIH researchers create comprehensive collection of approved drugs to identify new therapies for rare and neglected diseases“. As many of you know, our first CDD Public data set, was a set of known drugs from Dr. Lipinski. Since then, we have added additional collections around the known drugs and clinical compounds from Dr. Sullivan at Johns Hopkins (who will provide this compound collection for just the cost of plating and shipping to interested collaborators). And, three of our most recent CDD Public data sets are related to drug repurposing. Obviously, the number of researchers screening sets of known drugs in CDD Private Vaults are orders of magnitude higher, as drug rescue and drug repurposing has become a very popular (and fruitful) approach.
It is remarkable what Ruili Huang and co-workers in Dr. Austin’s group at the NCGC have accomplished. This has been a 5 year undertaking to provide “complete information on the nearly 27,000 active pharmaceutical ingredients, including 2,750 small molecule drugs that have been approved by regulatory agencies from the United States, Canada, Europe and Japan, as well as all compounds that have been registered for human clinical trials” described in www.ScienceTranslationalMedicine.org 27 April 2011 Vol 3 Issue 80 80ps16 1. We look forward to adding their publicly accessible sdfile and related data sets of interest to the community for drug repurposing to CDD Public for both humanitarian and commercial applications.
This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registration, structure activity relationship, chemical inventory, and electronic lab notebook capabilities!
CDD Vault: Drug Discovery Informatics your whole project team will embrace!
Translated with Google Translate