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:9/2/2014)... September 02, 2014 The inventors of ... for chronic tinnitus are seeking support for development costs ... Indiegogo platform ( http://igg.me/at/tinaway ), was launched on September ... therapeutic ‘mHealth’ app and is based on ten years ... team of biomedical and software engineers, Dr. Ian Dixon ...
(Date:8/31/2014)... 2014 Available spectra is similar ... research and cultivation of a wide range of ... LEDs with proven patented and pending wide spectrum ... uniformity in critical applications in contrast to growth ... “Our customers have a large variety of differently ...
(Date:8/29/2014)... but one of the most promising technologies for future ... light (photons) instead of electrons. First, it is necessary ... photons and control their direction. Researchers around the world ... control, but now scientists at the Niels Bohr Institute ... emitted one at a time and in a particular ...
(Date:8/29/2014)... Hills, NY (PRWEB) August 29, 2014 ... Burnt Hills Veterinary Hospital are seeking candidates to participate ... dogs with osteoarthritis. The ultimate goal of this ... donor stem cells into one or two arthritically affected ... treated joints. , Candidates for the current investigational ...
Breaking Biology Technology:tinAway Pty. Ltd. launch a crowdfunding campaign to fund a clinical trial of tinAway, a new potential cure for chronic tinnitus 2tinAway Pty. Ltd. launch a crowdfunding campaign to fund a clinical trial of tinAway, a new potential cure for chronic tinnitus 3tinAway Pty. Ltd. launch a crowdfunding campaign to fund a clinical trial of tinAway, a new potential cure for chronic tinnitus 4tinAway Pty. Ltd. launch a crowdfunding campaign to fund a clinical trial of tinAway, a new potential cure for chronic tinnitus 5Breakthrough in light sources for new quantum technology 2Burnt Hills Veterinary Hospital Seeks Candidates for an Investigational Study of Stem Cells for Dogs with Arthritis 2
... Hard-to-transfect Cells , Dmitriy ... Kelnar, David Brown, Ambion, Inc. , ... RNA interference (RNAi) is a powerful , ... genes. It is used routinely for gene function analysis, target , ...
... Trace amounts of ribonuclease (RNase) , ... ubiquitous in the laboratory environment--on your skin, in the , ... , open to the air--it ... or eliminate RNase contamination. However, determining which , ...
... , High Quality Custom Synthesis ... Mouse, and Rat , Genomes , ... Silencer siRNA Libraries , , ... Quality Custom RNA Synthesis by Ambion Finding a highly effective ...
Cached Biology Technology:Delivering siRNAs to Difficult Cell Types 2Delivering siRNAs to Difficult Cell Types 3Delivering siRNAs to Difficult Cell Types 4Delivering siRNAs to Difficult Cell Types 5Delivering siRNAs to Difficult Cell Types 6Delivering siRNAs to Difficult Cell Types 7Combat RNase Contamination in the Lab 2Combat RNase Contamination in the Lab 3Combat RNase Contamination in the Lab 4Combat RNase Contamination in the Lab 5IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 2IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 3IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 4IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 5IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 6IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 7IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 8IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 9IMPROVE SILENCING SUCCESS: siRNAs THAT WORK BETTER! 10
(Date:9/2/2014)... over the last decade in Taiyuan, China, have substantially ... a greater than 50% reduction in costs associated with ... according to researchers at the Columbia Center for Children,s ... Health, the Shanxi Medical University, the Center of Diseases ... University School of Public Health. , The study is ...
(Date:9/2/2014)... take stress in stride; others are done in by ... molecular mechanisms of this so-called stress gap in mice ... could lead researchers to better understand the development of ... people, each animal has unique experiences as it goes ... experiences can alter the expression of genes, and as ...
(Date:9/1/2014)... held that corals whose calcium-carbonate skeletons form ... organisms that rely entirely on ocean currents to ... But now scientists at MIT and the Weizmann ... that they are far from passive, engineering their ... greatly enhance their ability to exchange nutrients and ...
Breaking Biology News(10 mins):Clean air halves health costs in Chinese city 2Discovery hints at why stress is more devastating for some 2Discovery hints at why stress is more devastating for some 3Nature's tiny engineers 2Nature's tiny engineers 3
... will rewrite the textbooks on how an ovary is formed, ... The study, now published in the journal PLOS ONE ... key role in the development of ovaries and ovarian follicles, which ... discovery is expected to prompt further studies around the world to ...
... low temperatures and NMR spectroscopy, the scientists visualized seven ... down from 25C to -16C. Their results show that ... in protein folding. The scientists, findings may contribute to ... and misfold during illness. Whether Alzheimer,s, Parkinson,s ...
... Researchers from North Carolina State University have found that one ... States the Argentine ant appears to have met ... have found that the Asian needle ant is successfully displacing ... needle ant with its venomous sting may be ...
Cached Biology News:Study prompts rethink of how ovaries develop 2Protein 'filmed' while unfolding at atomic resolution 2Protein 'filmed' while unfolding at atomic resolution 3Researchers find Asian needle ants displacing other aggressive invaders 2
... EKMax™ is a recombinant preparation of ... EKMax™ Enterokinase is expressed and isolated from ... highly purified enzyme preparation (2). It recognizes ... bond after the lysine residue. The enzyme ...
... are cytopathic effect inhibition assays, also known as ... tissue culture supernatents; serum from PK studies and ... is defined as the quantity of interferon required ... viral infection by 50%. All standards ...
...
...
Biology Products: