Navigation Links
Automated design for drug discovery
Date:12/12/2012

A system of 'automated design' for new drugs could help develop the complex therapies needed for many medical conditions while also improving drug safety and efficiency, new research from the University of Dundee has shown.

The 'Moneyball' approach taken by the research team utilises the principles of advanced statistical and data analysis which have seen to be increasingly influential in areas as varied as sport, finance and in forecasting the recent US Presidential election.

As more complex drugs are needed to treat more complicated problems - particularly in areas such as neuroscience, infectious diseases and cancer - the task facing biologists and chemists is daunting. However, researchers at the College of Life Sciences at Dundee, in collaboration with partners in North America, have shown that an automated computational process analysing huge amounts of existing data could provide a valuable new tool in drug discovery.

The innovative approach taken by the research team mimics the creative process of human chemists, where drug molecules are steadily improved through successive cycles of design and selection.

"One of the things that makes drug discovery so hard is that you're trying to improve several different properties at the same time," said Professor Andrew Hopkins, Chair of Medicinal Informatics at Dundee. "Evolution is a mechanism than can be applied to solving these kinds of optimisation problems, and the iterative process of adaption and selection of hundreds of thousand of possible solutions can be simulated in a computer.

"We have effectively proved the concept of automated design of new compounds, showing that by using algorithms to process massive amounts of data we can tackle problems of huge complexity. The system solves the design problem by using computational evolution to mimic the design process of human chemists but running it on a very large scale."

The research is published in the j
'/>"/>

Contact: Roddy Isles
r.isles@dundee.ac.uk
44-013-823-84910
University of Dundee
Source:Eurekalert

Page: 1 2 3

Related biology technology :

1. Automated Online Sample Preparation Comes to Waters UltraPerformance Liquid Chromatography (UPLC) Platform
2. VisionGate Reports Advances In Its Cell-CT(TM) Automated 3D Cell Analysis Platform At ASC 2012 Scientific Meeting
3. IMDx Obtains CE-Marking for an Automated Molecular Test for Detection and Differentiation of Herpes Simplex Viruses 1 and 2
4. JBT Corporation and Swisslog Enter Into Partnership for Automated Guided Vehicles
5. Milo Biotechnology Announces FDA Orphan Drug Designation for AAV1-FS344 for Treatment of Duchenne and Becker Muscular Dystrophy
6. iLuv Earns International Acclaim for Excellence and Innovation in Product Design
7. Spanish scientists design a revolutionary data storage device
8. Ben-Gurion University develops side-illuminated ultra-efficient solar cell designs
9. New study reveals challenge facing designers of future computer chips
10. New design could improve condenser performance
11. A New Dawn in Cosmetics Coverage: Cosmetics Design Launches Asia-Pacific News Website
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:10/20/2014)... 2014 Earle Martin , ... today that Ellen Teplitzky, an experienced attorney specializing ... pharmaceutical industry, has joined the firm as Director ... services practice. NDA Partners provides legal services, ... testimony, to top law firms and their clients ...
(Date:10/19/2014)... 2014 OCTOBER 20-22, 2014: ... ABIM will take place at the ... ABIM 2014 is now available at ... companies and organizations from all over the ... on the latest products and developments on ...
(Date:10/19/2014)... The Asian Automatic patient billing report defines ... forecast of revenue. The Automatic patient billing market in ... by 2018, at a developing CAGR of 7.2% from ... the Asian Automatic patient billing market, to get an ... a glimpse of the segmentation of this market in ...
(Date:10/19/2014)... The Asian Orthopedic braces and support systems report defines ... forecast of revenue. The Orthopedic braces and support systems market ... by 2018, at a developing CAGR of 4.4% from 2013 ... Orthopedic braces and support systems market, to get an idea ... of the segmentation of orthopedic braces and support systems market ...
Breaking Biology Technology:NDA Partners Appoints Ellen Teplitzky, JD as Director of its Legal Services Practice 2The Asian Automatic patient billing market is estimated to grow to around $463.9 million by 2018 - New Report by MicroMarket Monitor 2The Asian Automatic patient billing market is estimated to grow to around $463.9 million by 2018 - New Report by MicroMarket Monitor 3The Asian Orthopedic braces and support systems market is estimated to grow to around $416.5 million by 2018 - New Report by MicroMarket Monitor 2The Asian Orthopedic braces and support systems market is estimated to grow to around $416.5 million by 2018 - New Report by MicroMarket Monitor 3The Asian Orthopedic braces and support systems market is estimated to grow to around $416.5 million by 2018 - New Report by MicroMarket Monitor 4
... Calif., Oct. 19, 2011 Process automation specialist Endress+Hauser ... company that develops, produces and distributes sensors, hardware and ... to strengthen its position in the area of biotechnology ... important role in the future, not only in the ...
... Applications International Corporation (SAIC) (NYSE: SAI ) ... National Institute of Allergy and Infectious Diseases (NIAID), part ... preclinical services for the development of biopharmaceutical products for ... the end of fiscal year 2011.  The total funding ...
... NEW YORK, Oct. 19, 2011 ... research report is available in its ... Erythematosus Therapeutics (SLE) - Pipeline Assessment ... http://www.reportlinker.com/p0656881/Systemic-Lupus-Erythematosus-Therapeutics-SLE---Pipeline-Assessment-and-Market-Forecasts-to-2018.html#utm_source=prnewswire&utm_medium=pr&utm_campaign=Pathology ...
Cached Biology Technology:Endress+Hauser and Finesse Solutions Form Strategic Partnership - Swiss Process Automation Provider Invests in US Biotech Company 2Endress+Hauser and Finesse Solutions Form Strategic Partnership - Swiss Process Automation Provider Invests in US Biotech Company 3SAIC Awarded Contract by National Institute of Allergy and Infectious Diseases 2Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 2Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 3Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 4Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 5Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 6Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 7Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 8Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 9Systemic Lupus Erythematosus Therapeutics (SLE) - Pipeline Assessment and Market Forecasts to 2018 10
(Date:10/16/2014)... have a new synthesis of recent research findings to ... in the two states. , The Ecology and ... Washington: A Synthesis of the Relevant Biophysical Science and ... published by the U.S. Forest Service,s Pacific Northwest Research ... managers for a synthesis of the large body of ...
(Date:10/16/2014)... efficiently, they are anything but sustainable: environmental damage ... is becoming increasingly evident. Despite their disadvantages, however, ... regarded as the sole possibility of achieving higher ... Bernhard Schmid, an ecology professor at the University ... agriculture and forestry. After all, a new study ...
(Date:10/16/2014)... Calif. (October 16, 2014) – Post-menopausal women experienced ... on hormone levels or genital bleeding, after 12 ... an investigational fermented soy germ-based nutritional supplement previously ... to a new peer-reviewed pilot study reported in ... (NAMS) annual scientific meeting. , "These data ...
Breaking Biology News(10 mins):New report synthesizes best available science on management of moist mixed-conifer forests 2Plant communities produce greater yield than monocultures 2Plant communities produce greater yield than monocultures 3S-equol supplements associated with improved measures of reproductive health in postmenopausal women 2
... Virus (HCV) infects up to 500,000 people in the ... is the single biggest cause of people requiring a ... with groups across Europe and the USA, scientists from ... may be a significant step towards a vaccine. ...
... The Simons Foundation, through its Autism Research Initiative, has ... University Cell and DNA Repository (RUCDR) to establish a ... will be collected from 2,000 families that have a ... this project is known, will constitute the core resource ...
... may be to blame for the gradual extinction of ... according to Ulrich Kutschera and colleagues from the University ... in Austria. Their findings show that human-induced temperature ... of Austria may have led to the near extinction ...
Cached Biology News:Possible hepatitis C vaccine 2Rutgers Genetics receives $7.8 million for autism research 2Rutgers Genetics receives $7.8 million for autism research 3Role reversal as humans suck life out of leeches 2
... Major Science Major Science MS 300V (Cat. ... supply designed to meet most electrophoresis needs ... unit. Major Science MS 300V power supply ... to instruments used in electrophoresis. 4 pairs ...
...
The Programmable MP-3500P-F Power Supply can be applied for any Microfluidic application....
Rabbit polyclonal to Synapsin II ( Abpromise for all tested applications). entrezGeneID: 6854 SwissProtID: Q92777...
Biology Products: