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:5/24/2016)... superior patient care by providing unparalleled technology to leaders of the medical imaging industry. ... recently added to the range of products distributed by Ampronix. Photo - ... ... ... ...
(Date:5/3/2016)... May 3, 2016  Neurotechnology, a provider of ... MegaMatcher Automated Biometric Identification System (ABIS) , a ... projects. MegaMatcher ABIS can process multiple complex biometric ... combination of fingerprint, face or iris biometrics. It ... and MegaMatcher Accelerator , which have ...
(Date:4/19/2016)... , UAE, April 20, 2016 ... be implemented as a compact web-based "all-in-one" system solution ... the biometric fingerprint reader or the door interface with ... of modern access control systems. The minimal dimensions of ... ID readers into the building installations offer considerable freedom ...
Breaking Biology News(10 mins):
(Date:6/23/2016)... ... 23, 2016 , ... Mosio, a leader in clinical research ... Recruitment and Retention Tips.” Partnering with experienced clinical research professionals, Mosio revisits the ... tools, and strategies for clinical researchers. , “The landscape of how patients receive ...
(Date:6/23/2016)... 23, 2016 Houston Methodist Willowbrook Hospital ... Sports Association to serve as their official health ... Methodist Willowbrook will provide sponsorship support, athletic training ... association coaches, volunteers, athletes and families. ... Sports Association and to bring Houston Methodist quality ...
(Date:6/23/2016)... ... June 23, 2016 , ... Supplyframe, the Industry Network for ... Design Lab . Located in Pasadena, Calif., the Design Lab’s mission is to ... are designed, built and brought to market. , The Design Lab is Supplyframe’s ...
(Date:6/23/2016)... June 23, 2016 ... 2016;12(1):22-8 http://doi.org/10.17925/OHR.2016.12.01.22 Published recently ... peer-reviewed journal from touchONCOLOGY, Andrew D Zelenetz ... of cancer care is placing an increasing burden ... expensive biologic therapies. With the patents on many ...
Breaking Biology Technology: