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

se birds or molecular fragments to find the prime location for food, or the protein hot spots. The algorithm is originated from a computation technique called particle swarm optimization.

"Each bird can see the landscape individually, and it can sense other birds that inform each other about where the foods are," Li said. "That's how this method works. Each fragment is like a bird finding food on the landscape. And that's how we place the fragments and obtain the best fragment combination for specific protein binding sites."

Li verified that the technique works by comparing a molecular structure he designed to the molecular base of an existing cancer medication that targets a widely understood protein.

"My method reconstructed what pharmaceutical companies have already done," he said. "In the future, we'll apply this technique to protein targets for diseases that remain challenging to treat with currently available therapies."

The research appears online and is scheduled for later print publication in the Journal of Computational Chemistry.

Li said this new computer modeling method of drug design has the potential to complement and increase efficiency of more time-consuming methods like nuclear magnetic resonance and X-ray crystallography. For example, he said, X-ray fragment crystallography can be hard to interpret because of "noise" created by fragments that don't bind well to proteins.

With this new computer simulation technique, called multiple ligand simultaneous docking, Li instructs molecular fragments to interact with each other before the actual experimental trials, removing weak and "noisy" fragments so only the promising ones are left.

"They sense each other's presence through molecular force. They suppress the noise and go exactly where they are supposed to go," he said. "You find the right fragment in the right place, and it's like fitting the right piece into a jigsaw puzzle."'/>"/>

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:10/31/2014)... been studying the behavior of approximately 300 wild ... They observed that ravens slowly build alliances through ... they also observed that these affiliative interactions were ... about 50 % of the cases these interventions ... ravens, intervening can be potentially risky when the ...
(Date:10/30/2014)... Restoring wetlands can help reduce or reverse soil ... research in California,s Sacramento-San Joaquin River Delta by ... study, which is one of the first to ... methane as they cycle through wetlands, appears in ... . , Worldwide, agricultural drainage of organic ...
(Date:10/30/2014)... life, cells immediately begin accepting assignments to become a ... humans, are special. The cells of mammalian embryos get ... the protective placenta or to commit to forming the ... research from Michigan State University has revealed key discoveries. ... PLOS Genetics , provide insights into where ...
Breaking Biology News(10 mins):Dartmouth study finds restoring wetlands can lessen soil sinkage, greenhouse gas emissions 2Identifying the source of stem cells 2
... (NYSE: A) today introduced a high-performance ion trap ... life-science researchers to identify 60 to 80 percent ... such as protein identification and biomarker discovery, potentially ... cancer and speeding drug development efforts. The Agilent ...
... frequency of drug resistance in isolates of the AIDS ... urgent necessity. Host genes required to support the replication ... targets, but relatively few appropriate target genes have been ... conducted by Dr. Suzanne Sandmeyer and colleagues at the ...
... D. Anderson Cancer Center have developed a way to test ... chemotherapy drug Taxol are effectively killing tumor cells. They say ... to accurately assess whether patients are responding to these agents, ... , In two different studies being presented at the ...
Cached Biology News:Product improves peptide identification for proteomics research 2Study reveals candidate targets for anti-retroviral therapeutics 2Measuring Enzymes At End Of Cancer Pathway Predicts Outcome Of Tarceva, Taxol 2Measuring Enzymes At End Of Cancer Pathway Predicts Outcome Of Tarceva, Taxol 3
(Date:10/30/2014)... Grace Century portfolio project, Provia Laboratories , ... the Board, to the National Stem Cell Ethics Committee ... by the Ministry of Health on behalf of the Government ... More than a year after Bahamian Parliament passed the ... Christie said the government has completed the accompanying regulations and ...
(Date:10/30/2014)... , Oct. 30, 2014  Regado Biosciences, Inc. (Nasdaq: ... hold a conference call and live audio webcast on ... discuss its third quarter 2014 financial results. ... by dialing (888) 347-1165 for domestic callers or (412) ... webcast live under the investor relations section of the ...
(Date:10/27/2014)... 27, 2014 Ryan Carfley , Managing ... to sit down with Bryan Hamilton, the publisher of the ... discuss talent in the Research Triangle region of North Carolina. ... highlighted at the roundtable include the role of social ... of work/life balance and the unique role that Millennials play ...
(Date:10/27/2014)... and TORONTO , ... ( www.generex.com ) (OTCQB: GNBT) today announced two ... response triggered by its novel proprietary cancer immunotherapeutic ... in breast cancer patients. The AE37 cancer vaccine ... Antigen Express, Inc. ( www.antigenexpress.com ). The presentations ...
Breaking Biology Technology:Grace Century’s Stem Cell Biobank Project Announces Chairman’s Appointment to National Stem Cell Ethics Committee of The Bahamas 2Grace Century’s Stem Cell Biobank Project Announces Chairman’s Appointment to National Stem Cell Ethics Committee of The Bahamas 3Regado Biosciences to Provide Third Quarter 2014 Financial Results 2Personify's Ryan Carfley Talks Recruiting with Triangle Business Journal, RPG Solutions 2Personify's Ryan Carfley Talks Recruiting with Triangle Business Journal, RPG Solutions 3Generex Announces Presentations Correlating Immunological Response with Reduced Recurrence in Phase II Study of AE37 Breast Cancer Vaccine in Patients at the American College of Surgeons 2Generex Announces Presentations Correlating Immunological Response with Reduced Recurrence in Phase II Study of AE37 Breast Cancer Vaccine in Patients at the American College of Surgeons 3Generex Announces Presentations Correlating Immunological Response with Reduced Recurrence in Phase II Study of AE37 Breast Cancer Vaccine in Patients at the American College of Surgeons 4
... the price of soybean seed skyrocketing, soybean growers are looking for ... seeding rate. The research and education director of the North Central ... and profit potential in 2009. , ... Urbandale, Iowa ...
... (ASX: CYT) has today circulated a letter and ... shareholders. The letter provides an update on the ... 2009 and provides recommendations on how to vote ... 2009.(Photo: http://www.newscom.com/cgi-bin/prnh/20090225/NY75105 )The letter and the sample ...
... SEATTLE, Feb. 24 Implicit,Bioscience Ltd today announced ... Eli Lilly and Company. Implicit has paid an,undisclosed ... will also,receive a royalty on future IC14 sales. ... substantial expertise and passion to the,treatment of patients ...
Cached Biology Technology:NCSRP Research Director: "Earlier Planting can Increase Soybean Yields" 2NCSRP Research Director: "Earlier Planting can Increase Soybean Yields" 3Cytopia Letter to Progen Shareholders 2Cytopia Letter to Progen Shareholders 3Cytopia Letter to Progen Shareholders 4Cytopia Letter to Progen Shareholders 5Implicit Licenses Clinical Stage Antibody Program From Lilly 2Implicit Licenses Clinical Stage Antibody Program From Lilly 3
BD BioCoat Fibronectin 35 mm Culture Dishes, tissue-culture treated polystyrene with a uniform application of human fibronectin....
... a positive selection for creating baculovirus recombinants ... insect cells. The kit improves on the ... eliminating the time-consuming steps of plaque purification. ... with a portion of the essential open ...
... General description: Dish uses include large-scale colony-counting ... with PBA Flexys TM automated colony ... is a new product number, created to ... no availability yet, please order under the ...
Mouse monoclonal [7B9] to beta II Tubulin ( Abpromise for all tested applications). Antigen: Synthetic peptide, CEEEEGEDEA found at the c-terminus of beta II tubulin. Entrez GeneID: 10383 ...
Biology Products: