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:4/2/2015)... , April 2, 2015 ... tests DERMALOG by far outperforms the strongest competitors, ... maintaining high accuracy, the system is capable of ... the speed proves up to be ten times ... than its runner-up performance.      (Photo: ...
(Date:4/2/2015)... 2, 2015 Fingerprint Cards (FPC) ... FPC1025 from the distributor World Peace Industrial Group (WPI), ... 2015 although the major part of the shipments will ... used by smartphone manufacturers in China ... in the communicated revenue guidance of + 1 000 MSEK ...
(Date:3/31/2015)... 31, 2015  Elephant Talk Communications Corp. (NYSE MKT: ... of Software Defined Network Architecture (ET Software DNA® 2.0) ... of approximately $20.4 million for the year ended December ... for the year ended December 31, 2013. ... had completed its multi-year transition away from its legacy ...
Breaking Biology News(10 mins):DERMALOG AFIS Emerges as Performance Winner in NIST Benchmark Test 2DERMALOG AFIS Emerges as Performance Winner in NIST Benchmark Test 3Fingerprint Cards Receives Touch Fingerprint Sensor Order of SEK 110 Million 2Elephant Talk Reports 2014 Fourth Quarter and Year End Financial Results 2Elephant Talk Reports 2014 Fourth Quarter and Year End Financial Results 3Elephant Talk Reports 2014 Fourth Quarter and Year End Financial Results 4Elephant Talk Reports 2014 Fourth Quarter and Year End Financial Results 5Elephant Talk Reports 2014 Fourth Quarter and Year End Financial Results 6
... Sweden and the University of Glasgow, Scotland, has identified a ... gastrointestinal bacteria. In a study published as a letter to ... suggesting that the human genome may play a role in ... human gastrointestinal tract collectively known as the gut microbiota. ...
... a classic example of evolutionary adaptation, with beaks that vary ... While living birds have a beak to manipulate their food, ... discovery shows some fossil birds evolved teeth adapted for specialized ... a new species of early bird, Sulcavis geeorum , ...
... by senior author Morris J. Birnbaum, MD, PhD, the ... Institute for Diabetes, Obesity, and Metabolism, Perelman School of ... metformin works in a different way than previously understood. ... liver hormone glucagon,s ability to generate an important signaling ...
Cached Biology News:International study suggests human genes influence gut microbial composition 2First fossil bird with teeth specialized for tough diet 2Most-used diabetes drug works in different way than previously thought 2
(Date:4/24/2015)... Mirego, leader in mobile strategies and solutions, is proud to ... for the all new Apple Watch. Made in ... these extensions will reinvent the way users receive and interact ... Available today in Canada ... that makes for an excellent buddy for business, health and ...
(Date:4/24/2015)... (PRWEB) April 24, 2015 Seoul ... technology for various applications in the lighting market. ... successful installations of this technology in emerging markets ... for a wide range of applications such as ... and decorative lighting. , First launched in 2005 ...
(Date:4/23/2015)... Mount Dora, Florida (PRWEB) April 23, 2015 ... announced that it intends to conduct a groundbreaking ... can begin to be reversed in as little ... researchers—using the science of metabolic and nutritional medicine—will ... conditions that cripple and destroy our aging brain. ...
(Date:4/23/2015)... Six startups from Russia traveled ... as part of the U.S.-Russia Innovation Corridor (USRIC) ... biotechnology startups to participate in the program since ... the University of Maryland (UMD) signed a Memorandum ... universities in the biomedical industry in 2013. , ...
Breaking Biology Technology:Familiprix, OMSignal and MediaMiser apps available today for Apple Watch 2Acrich Technology from Seoul Semiconductor Adopted in Installations Worldwide 2New Study Looks to Reverse Alzheimer’s Disease 2New Study Looks to Reverse Alzheimer’s Disease 3U.S.-Russian Innovation Corridor Program Connects Visiting Russian Startups to U.S. Experts 2U.S.-Russian Innovation Corridor Program Connects Visiting Russian Startups to U.S. Experts 3U.S.-Russian Innovation Corridor Program Connects Visiting Russian Startups to U.S. Experts 4
... whose MBA and undergraduate degree were minted at the ... Clear Software's North American operations, the company said on ... ,Cape Clear, headquartered in Massachusetts, provides "enterprise service bus" ... State of Wisconsin Department of Administraiton. , ,Though its ...
... are interested in bio and life science investments in ... Meanwhile the University of Wisconsin-Madison is introducing two new ... 30, 2005 Listen to this episode ... with companies in Madison ...
... Genzyme Corp. said on Wednesday it has agreed ... Wisconsin-Madison biotech spinoff, for $600 million in cash. , ,Bone ... more than $2 billion and almost 7,000 employees worldwide, plan ... companies recently reported healthy quarterly profits and revenues. Bone Care ...
Cached Biology Technology:Massachusetts firm to buy UW spinoff Bone Care for $600 million 2Massachusetts firm to buy UW spinoff Bone Care for $600 million 3
... of calcium binding proteins such as calmodulin and ... alpha and beta chain whereas S100B is composed ... also expressed in the antigen presenting cells such ... reticulum cells in the paracortex of lymph nodes. ...
Cytosol/Particulate Rapid Separation Kit Research Focus: other Storage Temperature: -20C Shipping Temperature: 4C...
Request Info...
Polyclonal Antibody to CLAN...
Biology Products: