Navigation Links
New data resource to advance computer-aided drug design
Date:10/10/2008

Advances in information technology have shaped not only how we find or share information, but also how we make new medicines. A project just funded by the National Institutes of Health plans to take computer-aided drug design to the next level.

The University of Michigan will lead the effort to expand and enhance the molecular data needed to develop computer programs that more accurately predict potential drug candidates. The data will be housed in a Web-based resource that the scientific community and others interested in this information can access for free. The resource is estimated to receive up to $5 million over five years from NIH's National Institute of General Medical Sciences (NIGMS).

"If we know the structure of a compound bound to a drug target, we should be able to tell how tightly the compound bindsinformation critical to drug development. But, in practice, we are not able to do this well enough to contribute significantly to research progress," said NIGMS Director Jeremy M. Berg, Ph.D. "This resource has been established to make important structural and binding data available so researchers can tackle this problem."

Chemist Heather Carlson, Ph.D., of the University of Michigan's College of Pharmacy will oversee the creation and operation of the new Community Structure-Activity Resource, which 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. Researchers can use computational tools to study the structural and biophysical properties of a target protein and, from among tens of thousands of possible ligands, predict the relatively few that bind to the protein in a potentially useful way. These ligands may warrant further study as so-called lead compounds for drug discovery.

Computational tools can also indicate which compounds may interact with other proteins and cause
'/>"/>

Contact: Emily Carlson
carlsone@nigms.nih.gov
301-496-7301
NIH/National Institute of General Medical Sciences
Source:Eurekalert

Page: 1 2

Related biology news :

1. HortTalks, a valuable scientific resource
2. Space technology put into service for global water resources observations
3. GBIF making the search for biodiversity research resources easier
4. Can Dungeness crab and eelgrass help improve management of our marine resources?
5. Multiple resource management is focus of new technical report
6. Key to using local resources for biomass may include waste
7. Biodiversity as a natural resource
8. Securing the future of Europes biological data resources
9. New Web resource to improve crop engineering
10. Ecology, economics and soil societies brief Congress on post-wildfire resource management
11. Seed Wars: Controversies and Cases on Plant Genetic Resources and Intellectual Property
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:9/30/2014)... face a suite of perilous threats in today,s ... and climate change, fragile coral ecosystems are disappearing ... trend, some species of corals surrounding the island ... protector in their tropical environment: coral guard-crabs. New ... Smithsonian Marine Station scientist Seabird McKeon and the ...
(Date:9/29/2014)... tar tended to be lower for smokers of slim ... nicotine tended to be lower. , Slim cigarettes are ... around the world. Previous studies have shown that the ... these cigarettes are lower than those in regular cigarettes. ... are not necessarily linked to a reduced exposure to ...
(Date:9/29/2014)... new Food and Brand Lab pilot study, published in ... the National School Lunch Program (NSLP) by 9% and ... Chefs Move to Schools (CMTS), an initiative of Michelle ... order to provide nutrition instruction to students and culinary ... CMTS event was held in an Upstate New York ...
Breaking Biology News(10 mins):Smithsonian scientists discover coral's best defender against an army of sea stars 2Slim cigarette smokers not exposed to more harmful chemicals 2Chefs move to schools can increase school meal participation and vegetable intake among students 2
... or amplification of particular DNA regions contributes to the development ... DNA changes have a high likelihood of dying from the ... journal of the American Cancer Society, the study provides valuable ... into which patients should be treated aggressively. Cells can ...
... half of all strokes are the results of advanced atherosclerosis ... In 2009, the direct and indirect annual cost of heart ... the total cost of heart disease to increase from $523 ... it is expected that there will be more than 148 ...
... disability with more than 350 million people globally affected ... mental health, depression predisposes an individual to physiological disease ... the risk of depression. According to the World ... depression will be the number one and number two ...
Cached Biology News:Particular DNA changes linked with prostate cancer development and lethality 2Development of novel therapies for endothelial damage may heal atherosclerotic plaques 2Social stress and the inflamed brain 2
(Date:9/30/2014)... Boston, MA (PRWEB) September 30, 2014 ... communications (UC) and collaboration company is dedicated to ... data connectivity needs. Julie Power, a ... team to ensure collaboration solutions stays connected and ... response to the increased movement of businesses to ...
(Date:9/30/2014)... September 30, 2014 UFP Technologies, ... specialty packaging has recently introduced a custom insulated ... Pack . The new insulated shipper solves the ... distribution process. UFP Technologies’ BioShell is a universal ... during storage, handling and shipping. The insulated shipper ...
(Date:9/30/2014)... and Pittsburgh PA (PRWEB) September 30, 2014 ... Research Nurses ( IACRN), a non-profit organization ... for Clinical Research Excellence and Safety (ACRES), ... signing of a strategic alliance agreement, setting the ... vision is to enhance clinical research quality and ...
(Date:9/29/2014)... the start of the military conflicts in Iraq and ... United States with traumatic brain injury caused by exposure ... improvised explosive devices, or IEDs. Symptoms of traumatic brain ... headaches and nausea, to more severe impairments in memory ... of Defense has recognized the critical importance and complexity ...
Breaking Biology Technology:SoundConnect Expands Carrier Services Division 2UFP Technologies Introduces Insulated Shipping Container For Bulk Drug Transportation 2UFP Technologies Introduces Insulated Shipping Container For Bulk Drug Transportation 3IACRN and ACRES to Support Clinical Research Nurses 2IACRN and ACRES to Support Clinical Research Nurses 3Modeling shockwaves through the brain 2Modeling shockwaves through the brain 3Modeling shockwaves through the brain 4
... of Patients Compensation Fund could be illegal , ... expressed support yesterday for Gov. Jim Doyles Grow Wisconsin ... expressed support, but takes issue with the provisions for ... strongest criticism for Doyles proposed use of funds from ...
... EAU CLAIRE, WI- Efforts at improving communication and technology ... outlook of the Chippewa Valley. , ,Thanks in large ... several Chippewa Falls-area companies are in line to receive ... bill, which was passed by the House and the ...
... WI-Patrick O'Malley, D.O. established his practice, O'Malley Family ... envisioned that practicing ndependently would enable him to ... can a solo practitioner build a thriving practice ... is essential," says O'Malley. "That's why I sought ...
Cached Biology Technology:Republicans criticize Doyles growth package 2Republicans criticize Doyles growth package 3Republicans criticize Doyles growth package 4Chippewa Valley Draws Defense Dollars 2Chippewa Valley Draws Defense Dollars 3Computer Card Supports Solo Doctor 2
...
...
... The newest member of Wyatt Technology's ... fits inside of your high temperature chromatograph ... scattering data from thermoplastic polymers. The HTmD ... any Waters 150C, PL220C or Alliance 2000 ...
... The FDSS6000 System is an imaging ... assay development and high throughput screening ... luminescence modalities., The Hamamatsu light sources ... our companys decades-long experience in photon ...
Biology Products: