Navigation Links
New drug design technique could dramatically speed discovery process
Date:4/13/2010

COLUMBUS, Ohio Scientists here are taking the trial and error out of drug design by using powerful computers to identify molecular structures that have the highest potential to serve as the basis for new medications.

Most drugs are designed to act on proteins that somehow malfunction in ways that lead to damage and disease in the body. The active ingredient in these medicines is typically a single molecule that can interact with a protein to stop its misbehavior.

Finding such a molecule, however, is not easy. It ideally will be shaped and configured in a way that allows it to bind with a protein on what are known as "hot spots" on the protein surface and the more hot spots it binds to, the more potential it has to be therapeutic.

To accomplish this, many drug molecules are composed of units called fragments that are linked through chemical bonds. An ideal drug molecule for a specific protein disease target should be a combination of fragments that fit into each hot spot in the best possible way.

Previous methods to identify these molecules have emphasized searching for fragments that can attach to one hot spot at a time. Finding structures that attach to all of the required hot spots is tedious, time-consuming and error-prone.

Ohio State University researchers, however, have used computer simulations to identify molecular fragments that attach simultaneously to multiple hot spots on proteins. The technique is a new way to tackle the fragment-based design strategy.

"We use the massive computing power available to us to find only the good fragments and link them together," said Chenglong Li, assistant professor of medicinal chemistry and pharmacognosy at Ohio State and senior author of a study detailing this work.

Li likens the molecular fragments to birds flying around in space, looking for food on the landscape: the protein surface. With this technique, he creates computer programs that allow the
'/>"/>

Contact: Chenglong Li
cli@pharmacy.ohio-state.edu
614-247-8786
Ohio State University
Source:Eurekalert

Page: 1 2 3

Related biology news :

1. IGERT fellows to design biodevices using flexible electronics
2. Researchers successfully simulate photosynthesis and design a better leaf
3. Synaptics SecurePad(TM) Selected as CES Innovations 2008 Design and Engineering Award Honoree
4. Singulex Teams With Wyeth Pharmaceuticals to Translate Pre-Clinical Biomarker Research Into Clinical Study Design
5. HIV isolate from Kenya provides clues for vaccine design
6. Book is the first high-resolution digital mouse brain atlas designed for Web applications
7. Carnegie Mellon scientists develop fluorescent proteins for live cell imaging, biosensor design
8. Specially-designed soils could help combat climate change
9. Popcorn-ball design doubles efficiency of dye-sensitized solar cells
10. Biodesigns Rittmann offers promising perspectives on societys energy challenge
11. Whales and dolphins influence new wind turbine design
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:7/31/2014)... as the Rim Fire was in full fury, raging ... it entered the backcountry of Yosemite National Park in ... the park, the battle began to turn, enacting a ... can combine to fuel large, severe fires. , "When ... lands where fire had been used as a management ...
(Date:7/31/2014)... with Hibiscus flowers- they are an iconic symbol ... planted in the landscape. Some, like Hawaii,s State ... , Only a relatively few botanists and Hawaiian ... beautiful and intriguing related group of plants known ... , Brother of Hibiscus species are in fact ...
(Date:7/31/2014)... White, brown and beige adipocytes, or fat cells, are ... functions and each plays its own role in metabolism. ... far the most prevalent. Its primary function is energy ... energy to generate heat but are only found in ... adipocytes, which represent a special type of brown adipocytes, ...
Breaking Biology News(10 mins):The Rim Fire 1 year later: A natural experiment in fire ecology and management 2The Rim Fire 1 year later: A natural experiment in fire ecology and management 3The Rim Fire 1 year later: A natural experiment in fire ecology and management 4The Rim Fire 1 year later: A natural experiment in fire ecology and management 5Brother of Hibiscus is found alive and well on Maui 2Hope for the overweight 2
... Edition: , , New hope for tapping vast domestic reserves ... to use in the U. S. , Toward a fast, ... proteins identified in the quest for male contraceptive, Toward more ... Resources: , Press releases, chat room sessions, and more ...
... The National Institutes of Health announced today that it ... NIH Director,s Pioneer and New Innovator Awards to 47 ... of their careers. The grants, estimated to be up ... pursue exceptionally innovative approaches that could transform biomedical and ...
... are thought to be involved in colon cancer but the ... have discovered that a molecule produced by a common gut ... The research, published in the October issue of the ... gut bacteria can cause colon cancer. There are more ...
Cached Biology News:ACS PressPac -- Sept. 17, 2008 2ACS PressPac -- Sept. 17, 2008 3ACS PressPac -- Sept. 17, 2008 4ACS PressPac -- Sept. 17, 2008 5ACS PressPac -- Sept. 17, 2008 6ACS PressPac -- Sept. 17, 2008 7ACS PressPac -- Sept. 17, 2008 8NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 2NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 3NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 4NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 5NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 6NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 7NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 8NIH extends commitment to transformative research with 2008 Pioneer, New Innovator Awards 9Cancer-causing gut bacteria exposed 2
(Date:7/31/2014)... July 31, 2014 Senomyx , ... company using proprietary taste science technologies to discover, ... food, beverage, and ingredient supply industries, today reported ... Company ended the second quarter with $33.6 million ... "During the past quarter Senomyx achieved another ...
(Date:7/31/2014)... global market for molecular diagnostics is expected to reach ... study by Grand View Research, Inc. Growing demand for ... advanced cancer diagnostic technologies are expected to be key ... Moreover, the growing global base of geriatric population and ... lifestyle habits such as smoking and excessive alcohol consumption ...
(Date:7/31/2014)... Miami, Fla. (PRWEB) July 31, 2014 The ... for distribution of its monthly news magazine, Kidney Cancer News. ... have a presence on a website maintained by an international ... noted an immediate increase in viewers.” , This month’s program ... of kidney tumors analyzed in a recent study. Kidney ...
(Date:7/30/2014)... 2014 W. R. Grace & ... the REVELERIS® Prep purification system , a ... and other researchers to perform both flash and ... , With the REVELERIS® Prep purification system, researchers ... modes with a simple touch of the screen, ...
Breaking Biology Technology:SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 2SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 3SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 4SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 5SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 6SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 7SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 8SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 9SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 10SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 11SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 12SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 13SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 14SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 15SENOMYX ANNOUNCES CORPORATE UPDATE AND SECOND QUARTER 2014 FINANCIAL RESULTS 16Molecular Diagnostics Market - Global Industry Size, Share, Trends, Analysis, Players, Opportunity, Outlook and Forecast From 2014 to 2020 2Molecular Diagnostics Market - Global Industry Size, Share, Trends, Analysis, Players, Opportunity, Outlook and Forecast From 2014 to 2020 3Molecular Diagnostics Market - Global Industry Size, Share, Trends, Analysis, Players, Opportunity, Outlook and Forecast From 2014 to 2020 4Molecular Diagnostics Market - Global Industry Size, Share, Trends, Analysis, Players, Opportunity, Outlook and Forecast From 2014 to 2020 5Grace Launches New REVELERIS® Prep Purification System 2
... Ryan MILWAUKEE - Watts Wacker, hippie extraordinaire and rock-star ... birthday bash last week. I was floored by his ... notes. Here's what Watts offered, along with some R-squared ... 200 Christians. When Paulone of JC's disciplesfinally laid down, ...
... August, those seven days in which we attempt to pack all ... For me, this week also signals the calm before the storm. ... 2004. (Its a great lineup, so if you haven't grabbed your ... should be polishing my opening comments and prepping my introductions, but ...
... are millions of very expensive, well-designed websites all over ... offer with great graphic illustrations, supportive explanations about their ... in a very large majority of cases, what is ... people behind the site: the owners, the management the ...
Cached Biology Technology:Watts Up 2Wrapping up the Summer 2Wrapping up the Summer 3Wrapping up the Summer 4Whats Hush-Hush Marketing? 2Whats Hush-Hush Marketing? 3
Rat Antibody to Kinase Suppressor Of Ras Recognises the kinase suppressor of Ras (KSR). Immunogen: Recombinant human KSR protein Specificity: human kinase supressor of Ras...
... clone E978 GenBank ... Immunogen : NY-ESO-1 ... mouse ascites with 0.05% ... routinely evaluated by immunoblot ...
Form: Ready to use Applications: Immunohistology-frozen, Immunohistology-paraffin, Western Blot, ELISA...
EnzChek Ultra Xylanase Assay Kit *500 assays*...
Biology Products: