Navigation Links
Compound screening for drug development made simpler
Date:3/24/2010

The identification of compounds that could be promising candidates for drug development has become easier following research by the Walter and Eliza Hall Institute's medicinal chemistry group.

Dr Jonathan Baell and Dr Georgina Holloway have developed a series of 'filters' that can be used to weed out those molecules likely to come up as false positives when screening a chemical library for compounds that could be useful in drug development.

High-throughput chemical screening (HTCS) seeks to identify chemical compounds that interact with a target protein and are therefore potential candidates for drug development. There can be from 30,000 to one million compounds in a screening library and thousands of compounds may be flagged as 'positive' for interaction with a protein of interest. These compounds then become the subject of time-consuming medicinal chemistry as scientists seek to refine them for entry into the drug development pipeline.

Dr Baell said about 10 per cent of compounds in any commercially available screening library might show up as false positives, potentially wasting hundreds of hours of scientists' time as they undertake labour-intensive medicinal chemistry to optimise these molecules.

"We're trying to remove molecules from the screening process that trick scientists into thinking they could be useful for being developed into drugs to treat disease but instead become a dead end," Dr Baell said.

To this end, Dr Baell and Dr Holloway analysed data from previous chemical screens and developed a way of clearly identifying those molecules likely to show up as false positives.

"These pan assay interference compounds, or PAINS as I like to call them, caused us some grief not so many years ago. For that reason, Georgina and I have taken some effort to identify these PAINS."

Dr Baell has made it possible for others to identify these troublesome molecules by developing 'filters', text files that can be incorporated into the software used to screen chemical libraries.

The filters were made publically available on 4 February through online publication in the Journal of Medicinal Chemistry.

High-throughput chemical screening has been used by large pharmaceutical companies for more than 20 years. In the past decade scientists at universities and research institutes and in small biotechnology companies have had increasing access to HTCS. "Many of them have spent vast amounts of time and money optimising and patenting molecules that were never going to amount to anything," Dr Baell said.

"We were in a position where we had all the data, we had the software, and we had the expertise to identify these molecules. Importantly, we also had the ability to publish our data.

"Pharmaceutical companies, which have used high-throughput chemical screening for many years, would know about many compounds that turn up as false positives. But they also operate in a competitive environment where publishing this data could compromise their competitive edge. For this particular situation, we didn't have such constraints."

Dr Baell said that within 48 hours of publishing the filters he was contacted by a number of pharmaceutical companies wishing to use them to assess their impact on their own high throughput screening libraries."


'/>"/>

Contact: Penny Fannin
fannin@wehi.edu.au
61-393-452-345
Walter and Eliza Hall Institute
Source:Eurekalert  

Related biology news :

1. URI pharmacy researcher finds beneficial compounds in pure maple syrup
2. Sanford-Burnham scientists identify natural compound that inhibits cancer cell migration
3. Scientists synthesize unique family of anti-cancer compounds
4. Scripps Research scientists find two compounds that lay the foundation for a new class of AIDS drug
5. Scripps Research scientists create new way to screen libraries of 10 million or more compounds
6. Natural compound blocks hepatitis C infection
7. Natural compounds in pomegranates may prevent growth of hormone-dependent breast cancer
8. New compounds may control deadly fungal infections
9. Compound found to safely counter deadly bird flu
10. Biogen Idecs oral compound BG-12 achieves development milestones in MS and RA
11. Anticancer compound found in American mayapple
Post Your Comments:
*Name:
*Comment:
*Email:
Related Image:
Compound screening for drug development made simpler
(Date:12/15/2016)... Germany , December 15, 2016 ... announced an agreement with NuData Security, an award-winning ... partnership will enable clients to focus on good customer experience, ... protection regulation. ... In order to provide a one-stop fraud prevention suite, ...
(Date:12/15/2016)... , Dec. 15, 2016  There is much more ... or starting the engine. Continental will demonstrate the intelligence ... Las Vegas . Through the combination of the ... Entry) and biometric elements, the international technology company is ... personalization and authentication. "The integration of biometric ...
(Date:12/8/2016)...  Singulex, Inc., the leader in Next Generation Immunodiagnostics ... license and supply agreement with Thermo Fisher Scientific, the ... access to Thermo Scientific BRAHMS PCT (Procalcitonin), a biomarker ... to diagnose systemic bacterial infection and sepsis and in ... in assessing the risk of critically ill patients for ...
Breaking Biology News(10 mins):
(Date:1/19/2017)... PLAINVIEW, N.Y. , Jan. 18, 2017 ... pathology services, announces the formation of an Executive Committee ... 2017 and beyond. John Cucci , ... been promoted from Director of Business Development to ... in 2015, Mr. Cucci served in senior sales leadership ...
(Date:1/18/2017)... , Jan. 18, 2017 Applied ... mechanistic modeling to drug research and development, today ... Co-Founder, President, and CEO of Applied BioMath, will ... Informatics and Modeling (BAGIM) Meeting on Thursday January ... Cambridge , MA.   Dr. Burke,s talk ...
(Date:1/18/2017)... , ... January 18, 2017 , ... ... federally funded bio-focused Manufacturing Innovation Institutes (MII). U.S. Secretary of Commerce Penny Pritzker ... Biopharmaceuticals (NIIMBL), and the Department of Defense has announced the award of a ...
(Date:1/18/2017)... ... 18, 2017 , ... uBiome, the leading microbial genomics company, ... Editor, Dr. Elisabeth Bik, in the December 2016 issue of the Dutch Journal ... October 2016 from her previous position at Stanford University School of Medicine and ...
Breaking Biology Technology: