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Center Directors:
W. Graham Richards, D.Sc.
Frederico Gago, Ph.D.
Christopher A. Reynolds, Ph.D.
M. Christina Menziani, Ph.D.
Maria J. Ramos, Ph.D.
Univ. of Oxford, Univ. of Essex, UK/ Univ. of Alcala, Spain
Univ. of Porto, Portugal/Univ. of Modena and Riggo Emilia, Italy
 
  
The Problem
Although scientists utilize various resources to identify compounds with therapeutic potential, the discovery process is often very lengthy.
Generally speaking, it takes 12-15 years for a newly identified molecule to go from being discovered in the laboratory, evaluated for its effectiveness and safety in animals and humans, to become FDA approved and marketed for public usage. Within this period, an average of 6.5 years is spent on screening and discovery of possible anti-cancer molecules. With about 562,340 Americans expected to die of cancer and 1,439,350 new cases to be diagnosed in 2009 alone, the traditional method of designing and screening candidate molecules has to be revolutionized in order to cope with the large demand for expediting the development of new and more effective anti-cancer medications.
 The Solution
The NFCR Center for Computational Drug Discovery at University of Oxford, England is aimed to accelerate the drug discovery process by developing cutting-edge drug screening computer software and screening a huge library consisting of 3.5 billion small molecule structures established at the Center. This NFCR Center involves collaborators from the U.S., U.K., Spain, Portugal and Italy.
The Research
The Screensaver-Lifesaver Project
In 2001, NFCR initiated the Screensaver-Lifesaver project at the NFCR Center for Computational Drug Discovery. Led by Dr. W. Graham Richards, who is one of the world's leading figures in computational approaches to drug discovery, the Center utilized special software to connect over 3.5 million personal computers around the world via the internet, and used PCs' idle time to conduct virtual screening for potential anti-cancer compounds. Ending in April 2007, this public endeavor resulted in tens of thousands of lead compounds as potential new anti-cancer drug candidates against 12 cancer targets, dramatically reducing the time required to complete the first phase of drug development. The results were transferred to the NFCR Center for Global Collaboration for biological testing.
Ultrafast New Search Engine Software
In 2007, Researchers at the Center introduced 3-D Molecule Search Engine software, known as Ultrafast Shape Recognition (USR). This technology is up to 14,000 times faster than previously developed similar technology in searching for virtual compounds as anti-cancer drug candidates. This novel method enables scientists to find drug-like molecules within a huge database in a few hours rather than a few years.
Learn more about the exciting research breakthroughs at the NFCR Center, visit the following web sites:
• Screensaver-Lifesaver Project
• Ultrafast New Search Engine Software
To support the NFCR Center for Computational Drug Discovery, please fill out the form below, or call us at 1-800-321-CURE (2873). Thank you!
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