Navigation Links
U-M to house leading drug database
Date:10/10/2008

ANN ARBOR, Mich.---The University of Michigan received $5 million from the National Institutes of Health to develop the world's leading resource of high-quality experimental data sets of drug-making compounds that will ultimately take computer-aided drug design to a new level.

The resource will house the data needed to improve computer programs that can predict the effectiveness of potential new drugs, said Heather Carlson, associate professor in the U-M College of Pharmacy and Medicinal Chemistry.

"What we intend to do is make the best data available so that people can use computers to do better drug design," said Carlson, who will oversee the creation and operation of the database, called Community Structure-Activity Resource (CSAR). "Computers do a good job but there is really room for improvement."

The data for drug compounds is spread among pharmaceutical companies and academic labs, and CSAR will combine existing and older data from those sources and generate new data. Carlson hopes to have the internal data online and accessible by year's end and to start accepting data deposits shortly after. The Web-based resource will be freely available to scientists and others interested in this information.

"We're talking about at least a hundred companies, each with data on thousands of compounds," Carlson said. "Access to that kind of data really changes the landscape."

Carlson said collaboration of three U-M centers---one of which houses many former Pfizer employees---allowed U-M to land the award.

One of those centers, the College of Pharmacy's Medicinal Chemistry Core Synthesis Laboratory, is especially important because it's a group unique to U-M, Carlson said. Carlson will contract with the MCCSL to resynthesize compounds already tested in the pharmaceutical industry. This synthesis is critical to the CSAR project but it's not a traditional educational experience, Carlson said, so it's not appropriate for a standard collaboration where students and faculty engage in original research projects.

"Only MCCSL's service for hire makes this $5 million award possible," Carlson said. The project is also heavily supported by the Center for Structural Biology in the Life Sciences Institute (which also includes former Pfizer scientists) as well as scientists from the College of Pharmacy, LSI, and the Medical School.

The database is important because it will include detailed molecular information about proteins that bind small, drug-like molecules called ligands. Most drugs work by latching onto proteins and altering a biological process, turning it on or off. Researchers can use computers to study the structural and biophysical properties of a target protein and, from among tens of thousands of possible ligands, predict those that bind to the protein in a potentially useful way. In this way, they identify ligands that may eventually become lead compounds for drug discovery or indicate which compounds may interact with other proteins and cause unwanted side effects.

"The ability to screen compounds and accurately predict their binding properties using only computers would greatly impact the drug development process s and many other aspects of biomedical research," said Jeremy Berg, director of the National Institute of General Medical Sciences of the NIH. "This resource has been established to make important structural and binding data available so researchers can tackle this problem."


'/>"/>

Contact: Laura Bailey
baileylm@umich.edu
734-647-1848
University of Michigan
Source:Eurekalert

Related medicine news :

1. Webcast Alert: Kaiser Permanente Residency Program Open House
2. Houston Texans Star Players Ahman Green and Matt Schaub Help Easter Seals, Avondale House and Local Families Tackle Autism
3. Retailers Welcome Senate Passage of Mental Health Parity Bill, Urge House to Adopt Senate Version at Subcommittee Markup
4. CRC Health Group Announces Acquisition of Durhams Structure House, Weight Loss Facility
5. Senate, House Announce Agreement to Renew, Improve Childrens Health Insurance Program Now
6. Statement on House/Senate Agreement on SCHIP Legislation
7. Prime Access Creates Groundbreaking Ads Targeting Urban Teens for the White Houses National Youth Anti-Drug Media Campaign
8. Benjamin England, Former FDA Regulatory Counsel, to Testify on FDA Import Strategic Plan Before House Appropriations Subcommittee
9. House of Representatives Passes Stop AIDS in Prison Act of 2007
10. Green Seal Ramps Up Environmental Standard for Household Cleaners
11. Pelosi Statement on House Vote to Extend Family and Medical Leave for Military Families
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:10/13/2017)... VA (PRWEB) , ... October 13, 2017 , ... ... of DevOps and Agile Software Development, has been awarded a contract by the ... Blanket Purchase Agreement (BPA) aims to accelerate the enterprise use of Agile methodologies ...
(Date:10/13/2017)... ... October 13, 2017 , ... “America On The Brink”: the Christian ... On The Brink” is the creation of published author, William Nowers. Captain Nowers ... a WWII veteran, he spent thirty years in the Navy. Following his career ...
(Date:10/12/2017)... ... October 12, 2017 , ... ... treating sleep apnea using cutting-edge Oventus O2Vent technology. As many as ... disorder characterized by frequent cessation in breathing. Oral appliances can offer significant relief ...
(Date:10/12/2017)... Wis. (PRWEB) , ... October 12, 2017 , ... ... standard products to meet the demand of today’s consumer and regulatory authorities worldwide. ... of probiotic experts and tested to meet the highest standard. , These ...
(Date:10/12/2017)... ... October 12, 2017 , ... The American College of Medical ... Friedman, PhD, FACMI, during the Opening Session of AMIA’s Annual Symposium in Washington, D.C. ... honor of Morris F. Collen, a pioneer in the field of medical informatics, this ...
Breaking Medicine News(10 mins):
(Date:10/11/2017)... , Oct. 11, 2017  Hill-Rom Holdings, Inc. ... Aspen Surgical facility in Las Piedras, Puerto ... scalpels and blades. ... that the facility sustained minor structural damage, temporary loss ... Maria. Repairs have been completed, manufacturing operations have resumed, ...
(Date:10/7/2017)... , Oct. 6, 2017   Provista, a ... than $100 billion in purchasing power, today announced a ... information. The Newsroom is the online home ... trends, infographics, expert bios, news releases, slideshows and events. ... to a wealth of resources at their fingertips, viewers ...
(Date:10/4/2017)...  According to the Centers for Disease Control and Prevention (CDC), ... Urgent Care is helping communities across Massachusetts , ... offering no-cost* flu shots through the end of the month. ... regulations. ... a flu shot is by the end of October, according to the ...
Breaking Medicine Technology: