Computation can speed up the time it takes to find new binding partners for old drugs
When cheap drugs are needed fast, researchers and drug companies are increasingly turning to an interesting short-cut: repurposing existing drugs for new uses. Because drugs exert multiple actions in...
Apr, 01, 2011
Resolving conflicts among databases
Pharmaceutical research is notoriously expensive. To find safe and effective drugs cost-effectively, some researchers seek new uses for medications that have already leaped the hurdles of the FDA...
Jun, 18, 2014
Computation offers a window into a disease often described as a black box
The growing threats of multi-drug resistant (MDR) and extensively drug resistant (XDR) tuberculosis (TB) are spurring worldwide interest in faster and more innovative research approaches, such as...
Jun, 06, 2012
Database automatically mines literature for drug-gene relationships--and does it as well as manually curated databases.
When a drug saves one person but makes another ill, a bitter lesson in genetic differences often follows. With many such lessons already under our collective belts, researchers are using existing...
Jan, 01, 2010
Today, if researchers want to study complex relationships among genes, diseases and drugs, they have to hope that human curators have read the scientific literature, extracted the relevant...
Apr, 01, 2016
From cellular responses to drugs, to adverse effects and drug repositioning, systems pharmacology gets the BD2K treatment
Relevant NIH Institutes:NCI, NHLBI, NIDDK, NINDS and all other disease-focused Institutes
The Big Data era in biomedicine offers a grand promise: that by crunching vast quantities of multi-...
Jun, 13, 2017
"Fold-It" players find best protein conformations to fight cancer
When it comes to folding proteins, even modern supercomputers don’t always get things exactly right. Enter FoldIt, an online video game that harnesses the human brain’s natural pattern-...
Jan, 01, 2010
Many new drugs carry a risk that they will cause more problems than they cure. That’s because a drug intended to bind one protein might also bind others. In an effort to address that problem,...
Apr, 01, 2008
Simulating molecular movement gives a more accurate view of binding sites.
If a picture’s worth a thousand words, then a motion picture, such as that provided by molecular dynamics (MD) simulations, must contain a wealth of information. It’s this potential...
Oct, 01, 2008
Decades of steady progress in pharmacogenetics have unearthed hundreds of associations between genes and drug response. But the field has to solve some theoretical and practical issues before it can deliver on the promise of personalized drug therapy.
As algorithms go, it’s deceptively simple. Just add together eight weighted pieces of patient information—age, height, weight, race, data about two genes, and a pair of clinical...
Jul, 01, 2009
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