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

p>

Before he can begin designing a molecule, Li must obtain information about a specific protein target, especially the protein structures. These details come from collaborators who have already mapped a target protein's surface to pinpoint where the hot spots are, for example, through directed mutations or from databases.

Li starts the design process with molecular fragments that come from thousands of existing drugs already on the market. He creates a computer image of those molecules, and then chops them up into tiny pieces and creates a library of substructures to work with typically more than a thousand possibilities.

That is where computational power comes into play.

"To search all of the possibilities of these molecular combinations and narrow them down, we need a massive computer," he said. Li uses two clusters of multiple computers, one in Ohio State's College of Pharmacy and the other in the Ohio Supercomputer Center, to complete the simulations.

The results of this computation create an initial molecular template that can serve as a blueprint for later stages of the drug discovery process. Medicinal chemists can assemble synthetic molecules based on these computer models, which can then be tested for their effectiveness against a given disease condition in a variety of research environments.

Li already has used this technique to identify molecules that bind to known cancer-causing proteins. He said the method can be applied to any protein that is a suspected cause of diseases of any kind, not just cancer.


'/>"/>

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:10/18/2014)... suspected genetic conditions, a certain type of exome sequencing ... than traditional molecular diagnostic methods, according to a study ... released to coincide with the American Society of Human ... protein­coding region of the genome (the complete set of ... organism), has been rapidly applied in research settings and ...
(Date:10/16/2014)... Cancer constantly wages war on the human body. ... a stalemate. In pancreatic cancer, this stalemate—known as ... becoming aggressively malignant, a phenomena that is poorly ... in the laboratory of Salvatore Torquato, a Professor ... the conditions surrounding tumor dormancy and the switch ...
(Date:10/16/2014)... Syncytial Virus causes severe respiratory tract infections and ... year. Scientists at VIB and Ghent University have ... counteract this common virus infection. , Xavier ... that paves the way for the development of ... virus that causes suffering in numerous small children ...
Breaking Biology News(10 mins):Study examines type of exome sequencing and molecular diagnostic yield 2Study examines type of exome sequencing and molecular diagnostic yield 3Modeling tumor dormancy 2New perspectives for development of an RSV vaccine 2
... When people have similar injuries, why do some end up ... The first longitudinal brain imaging study to track participants with ... all in their heads - quite literally. A ... chronic pain develops the more two sections of the brain ...
... in tissue engineering and regenerative medicine could one day make ... muscle tissue that could be cut into steaks without ever ... out of many kinds of tissue, but one of the ... the cells within large structures from suffocating; organs have complicated ...
... analyzed, for the first time, how a potted plant,s roots are ... to be presented at the Society for Experimental Biology meeting on ... size makes plants grow over 40% larger. From their ... extend their roots to the pot,s walls. It is likely that ...
Cached Biology News:Why chronic pain is all in your head 2Penn researchers improve living tissues with 3-D printed vascular networks made from sugar 2Penn researchers improve living tissues with 3-D printed vascular networks made from sugar 3Penn researchers improve living tissues with 3-D printed vascular networks made from sugar 4Penn researchers improve living tissues with 3-D printed vascular networks made from sugar 5
(Date:10/20/2014)... Oct. 20, 2014 PureTech , a ... big healthcare problems, announced today the closing of ... participation from Invesco Perpetual, a $120 Billion group ... drive PureTech,s existing pipeline forward and to advance ... the scientific creativity to really go for the ...
(Date:10/19/2014)... (PRWEB) October 19, 2014 The Latin ... the market in Latin America with analysis and forecast ... in 2013, and is expected to reach $2,366.8 million ... to 2018. , Browse through the TOC of the ... idea of the in-depth analysis provided. It also provides ...
(Date:10/19/2014)... The Asian Automatic patient billing report ... and forecast of revenue. The Automatic patient billing market ... million by 2018, at a developing CAGR of 7.2% ... of the Asian Automatic patient billing market, to get ... provides a glimpse of the segmentation of this market ...
(Date:10/19/2014)... (PRWEB) October 19, 2014 The ... Defense, & Homeland Security), Technology, Payload, Type & ... and segments the global unmanned ground vehicle market ... and forecasting of market sizes. The report also ... and opportunities impacting it along with the adoption ...
Breaking Biology Technology:PureTech Announces Expansion with Oversubscribed $55M Funding Round 2PureTech Announces Expansion with Oversubscribed $55M Funding Round 3PureTech Announces Expansion with Oversubscribed $55M Funding Round 4PureTech Announces Expansion with Oversubscribed $55M Funding Round 5PureTech Announces Expansion with Oversubscribed $55M Funding Round 6The Latin American hardware encryption display market is expected to reach $2,366.8 million by 2018 - New Report by MicroMarket Monitor 2The Latin American hardware encryption display market is expected to reach $2,366.8 million by 2018 - New Report by MicroMarket Monitor 3The 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 3Unmanned Ground Vehicle (UGV) Market Estimated to Reach $8.26 Billion by 2020 - New Research Report by MarketsandMarkets 2Unmanned Ground Vehicle (UGV) Market Estimated to Reach $8.26 Billion by 2020 - New Research Report by MarketsandMarkets 3Unmanned Ground Vehicle (UGV) Market Estimated to Reach $8.26 Billion by 2020 - New Research Report by MarketsandMarkets 4Unmanned Ground Vehicle (UGV) Market Estimated to Reach $8.26 Billion by 2020 - New Research Report by MarketsandMarkets 5
... ... peptide synthesis reagents and catalogue peptides. New pricing positions Mimotopes as the supplier of ... ... a subsidiary of Commonwealth Biotechnologies Inc. (NASDAQ Capital Market: CBTE), is pleased to announce ...
... CALGARY, Oct. 23 /PRNewswire-FirstCall/ - Dr. Brad Thompson, President ... ONCY ), will present a corporate overview of ... 2009 on Wednesday, October 28, 2009 at 3:00 p.m. ... Hotel in San Francisco on October 28 and 29, ...
... N.M. Sandia National Laboratories, National Institute for Nano-Engineering ... Research Corp., has won a "Deal of Distinction" award ... The award a glass sculpture will be ... innovative educational approach called NINE to facilitate student education ...
Cached Biology Technology:Mimotopes Launches Online Peptide Superstore 2Mimotopes Launches Online Peptide Superstore 3Media Advisory - Oncolytics Biotech Inc. to Present at BIO Investor Forum 2009 2Sandia, SRC win LES award for NINE program outreach 2
...
D.R. Harper and C. Grose (1994) • Includes: virus structure & replication, fundamental virology, immunology and pathogenesis, vaccines and antiviral drugs, novel diagnostic techniques, cloning a...
IHC Polymer Detection Kit (Rabbit DAB)150 slides...
...
Biology Products: