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:8/26/2015)... PUNE, India , August 26, 2015 ... (Two, Three, Four, and Five Factor), Application (Travel & ... and Geography - Global Forecast to 2020", published by ... 9.60 Billion by 2020, growing at a CAGR of ... 71 Tables and 82 F igures spread through ...
(Date:8/20/2015)... , Aug. 20, 2015 The ... consumers that are active and healthy. However, wearable ... the hospital environment to help improve diagnostic capabilities ... video from the Wearable Technologies Conference 2015 ... new applications for wearables in healthcare.    ...
(Date:8/18/2015)... , Aug. 18, 2015  Navitas ... key contributor to the Submission Content Management ... IRISS, a non-profit forum. Dedicated to the Implementation ... a neutral platform for industry, vendors, health ... information and work towards a standard method ...
Breaking Biology News(10 mins):Multi-Factor Authentication Market Worth 9.60 Billion USD by 2020 2Multi-Factor Authentication Market Worth 9.60 Billion USD by 2020 3Multi-Factor Authentication Market Worth 9.60 Billion USD by 2020 4Multi-Factor Authentication Market Worth 9.60 Billion USD by 2020 5Leaf Healthcare Releases Video from Wearable Technology Conference on New Applications for Wearables in the Hospital Environment 2Leaf Healthcare Releases Video from Wearable Technology Conference on New Applications for Wearables in the Hospital Environment 3Navitas, a Key Contributor in IRISS Forum Webinar 2Navitas, a Key Contributor in IRISS Forum Webinar 3
... treated like any other animal depending on where the owners ... Department of Sociology and Anthropology at Indiana University South Bend, ... to have a city background. "To think of pets ... Blouin said, "which makes sense given the utilitarian relationships people ...
... a new, rapid and less expensive DNA sequencing strategy, ... cases of Kabuki syndrome, a rare disorder that causes ... the entire human genome, the new approach sequences just ... that contains protein-coding genes. Kabuki syndrome, which ...
... DigitalPersona, Inc., a global provider of ... that Memorial Hospital of Union County, Marysville, ... protection suite to help meet the Health ... for secure access to electronic health records ...
Cached Biology News:Dogs' family status depends on family's locale 2Discovered gene causes Kabuki syndrome 2Discovered gene causes Kabuki syndrome 3Memorial Hospital Selects DigitalPersona Pro to Enhance HIPAA Security 2Memorial Hospital Selects DigitalPersona Pro to Enhance HIPAA Security 3
(Date:9/2/2015)... Aytu BioScience, Inc. (OTCQB: AYTU), a specialty ... related conditions, announced today that it has closed the ... financing, raising a total of $5.175 million, which includes ... Josh Disbrow , Chief Executive Officer ... intended to be used to conduct clinical studies for ...
(Date:9/2/2015)... 2, 2015 BioLight Life ... the "Company"), a firm that invests in, manages ... diagnostics, announced today that presentations highlighting its IOPtiMate™ ... delivered at the Ophthalmology Futures European Forum and ... Cataract & Refractive Surgeons ("ESCRS"), both taking place ...
(Date:9/2/2015)... 2, 2015 Biovista Inc. ... BeHEARD von 2015 bekanntgeben zu können. Hierbei handelt ... Institute. Biovista unterstützt mit seiner Möglichkeit ... Behandlung anderer Krankheiten als denen, für die ein ... und sein Team bei der Wylder Nation Foundation ...
(Date:9/2/2015)... NJ (PRWEB) , ... September 02, 2015 , ... ... Technical Services Staff members will be attending Pharma Ed Resources upcoming educational ... respected group of industry leading speakers, this timely conference will provide Updates & ...
Breaking Biology Technology:Aytu BioScience Completes $5.175 Million Private Placement 2Aytu BioScience Completes $5.175 Million Private Placement 3Presentations to Highlight BioLight's IOPtiMate[TM] System at Upcoming European Ophthalmology Conferences 2Presentations to Highlight BioLight's IOPtiMate[TM] System at Upcoming European Ophthalmology Conferences 3Biovista sponsert die Forschung von Wylder Nation Foundation zum Thema Mangel an saurer Sphingomyelinase 2Whitehouse Laboratories to Participate in Pharm Ed Resources Extractables, Leachables, & Elemental Impurities Educational Seminar 2Whitehouse Laboratories to Participate in Pharm Ed Resources Extractables, Leachables, & Elemental Impurities Educational Seminar 3
Many mammalian cell types and experimental situations create challenges for standard transfection experiments. The ViraPower Lentiviral Expression System overcomes these challenges with efficient...
Many mammalian cell types and experimental situations create challenges for standard transfection experiments. The ViraPower Lentiviral Expression System overcomes these challenges with efficient vir...
Src cDNA Expression Kit (wild type)...
Homogenizing Solution, 18ml Proteinase K - [50ug/l] 75 l...
Biology Products: