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:4/28/2016)... 28, 2016 First quarter 2016:   ... compared with the first quarter of 2015 The gross ... M (loss: 18.8) and the operating margin was 40% (-13) ... Cash flow from operations was SEK 249.9 M (21.2) , ... is unchanged, SEK 7,000-8,500 M. The operating margin for ...
(Date:4/15/2016)... April 15, 2016 Research ... Gait Biometrics Market 2016-2020,"  report to their offering.  ... ) , ,The global gait biometrics market is ... during the period 2016-2020. Gait analysis ... can be used to compute factors that are ...
(Date:3/29/2016)... LegacyXChange, Inc. (OTC: LEGX ... Protect are pleased to announce our successful effort to ... of writing instruments, ensuring athletes signatures against counterfeiting and ... athletes on LegacyXChange will be assured of ongoing proof ... Bill Bollander , CEO states, "By inserting ...
Breaking Biology News(10 mins):
(Date:5/3/2016)... Los Angeles, Calif (PRWEB) , ... May 03, ... ... network of industry leading fertility clinics and IVF laboratories. A contingency of reproductive ... Fertility™ to treat men and women experiencing infertility and to help them build ...
(Date:4/29/2016)... Como, Italy (PRWEB) , ... April 30, 2016 , ... ... their extraordinary textile design, the bioLogic team explored how bacterial properties can be applied ... ways of using Natto bacteria, which move in response to humidity change. The team ...
(Date:4/29/2016)... (PRWEB) , ... April 29, 2016 , ... Summit for ... to support the development of a patient-specific stem cell therapy for the treatment of ... lab of Dr. Jeanne Loring at The Scripps Research Institute in San Diego, CA. ...
(Date:4/28/2016)... ... April 28, 2016 , ... ... for Connecticut's innovative, growing companies, today announced the launch of VentureClash , ... (fintech) companies. , “VentureClash looks to attract the best early-stage companies ...
Breaking Biology Technology: