Navigation Links
New computational tool for cancer treatment

Many human tumors express indoleamine 2,3-dioxygenase (IDO), an enzyme which mediates an immune-escape in several cancer types. Researchers in the Molecular Modeling group at the SIB Swiss Institute of Bioinformatics and Dr. Benot J. Van den Eynde's group at the Ludwig Institute for Cancer Research Ltd (LICR) Brussels Branch developed an approach for creating new IDO inhibitors by computer-assisted structure-based drug design. The study was presented in the January 2010 online issue of the Journal of Medicinal Chemistry.

The docking algorithm EADock, used for this project, was developed by the Molecular Modeling Group over the last eight years. It provides solutions for the "lock-and-key" problem, wherein the protein active site is regarded as a "lock", which can be fitted with a "key" (usually a small organic molecule) able to regulate its activity. Once an interesting molecule has been obtained, synthesis and laboratory experiments are necessary to confirm or reject the prediction. This algorithm will soon be made available to the scientific community worldwide.

The scientists obtained a high success rate. Fifty percent of the molecules designed in silico were active IDO inhibitors in vitro. Compounds that displayed activities in the low micromolar to nanomolar range, made them suitable for further testing in tumor cell experiments and for in vivo evaluation in mice. If these studies are successful, scientists can begin evaluating these new compounds in patients undergoing cancer-immunotherapy.

According to Olivier Michielin, Assistant Member at the Lausanne Branch of LICR and leader of the SIB Swiss Institute of Bioinformatics Molecular Modeling group, "This is a satisfactory proof of principle showing that computational techniques can produce very effective inhibitors for specific cancer targets with high yield. This is very encouraging for future drug developments in the academic environment."


Contact: Dr. Andrew Simpson
Ludwig Institute for Cancer Research

Page: 1

Related biology news :

1. Computational microscope peers into the working ribosome
2. Petascale computational tools could revolutionize understanding of genomic evolution
3. Symposium marks 20th anniversary of Theoretical and Computational Biophysics Group
4. 7th annual [BC]2 Basel Computational Biology Conference Molecular Evolution June 18-19, 2009
5. Computational model examines the pathways of Alzheimers that strikes at the young
6. Computational model examines the pathways of Alzheimers that strikes at the young
7. 7th [BC]2 Basel Computational Biology Conference
8. Oxford Journals and the International Society for Computational Biology announce new partnership
9. New computational technique allows comparison of whole genomes as easily as whole books
10. Supercomputer provides massive computational boost to biomedical research at TGen
11. Penn presents inaugural symposium on applied mathematics and computational science
Post Your Comments:
(Date:5/3/2016)...  Neurotechnology, a provider of high-precision biometric identification ... Identification System (ABIS) , a complete system for ... can process multiple complex biometric transactions with high ... face or iris biometrics. It leverages the core ... MegaMatcher Accelerator , which have been used in ...
(Date:4/26/2016)... LONDON , April 26, 2016 /PRNewswire/ ... Systems, a product subsidiary of Infosys (NYSE: ... partnership to integrate the Onegini mobile security platform ... ) The integration ... security to access and transact across channels. Using ...
(Date:4/15/2016)... April 15, 2016  A new partnership announced ... accurate underwriting decisions in a fraction of the ... priced and high-value life insurance policies to consumers ... With Force Diagnostics, rapid testing (A1C, Cotinine ... readings (blood pressure, weight, pulse, BMI, and activity ...
Breaking Biology News(10 mins):
(Date:6/23/2016)... (PRWEB) , ... June 23, 2016 , ... ... on quality, regulatory and technical consulting, provides a free webinar on ... on July 13, 2016 at 12pm CT at no charge. , Incomplete investigations ...
(Date:6/23/2016)... , June 22, 2016  Amgen (NASDAQ: ... the QB3@953 life sciences incubator to accelerate ... The shared laboratory space at QB3@953 was created to ... key obstacle for many early stage organizations - access ... the sponsorship, Amgen launched two "Amgen Golden Ticket" awards, ...
(Date:6/22/2016)... , June 22, 2016 Cell ... will allow them to produce up to one ... one lot within one week. These high-quality, consistent ... laboriously preparing cells and spend more time doing ... through a proprietary, high-volume manufacturing process that produces ...
(Date:6/22/2016)... 22, 2016  According to Kalorama Information, the ... (NGS) market include significant efforts in automation as ... accessible and affordable sequencers, say the healthcare market ... consumables including sample prep materials.  The healthcare market ... Preparation for Next Generation Sequencing (NGS) , highlights ...
Breaking Biology Technology: