Navigation Links
New computational tool for cancer treatment
Date:1/29/2010

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
212-450-1542
Ludwig Institute for Cancer Research
Source:Eurekalert

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:
*Name:
*Comment:
*Email:
(Date:11/21/2014)... 20, 2014 C-Labs LLC, a leading provider ... Things (IoT), today announced the appointment of John ... Previously a strategic advisor to the firm, Mr. Traynor ... Traynor is based out of the C-Labs office in ... Chris Muench , Chief Executive Officer. ...
(Date:11/18/2014)...  The Secure Identity & Biometrics Association (SIBA) ... the formation of The Airport Entry and Exit ... and Biometric Entry and Exit Solutions Framework for ... from BORDERPOL, the international non-profit organization that works ... regarding border security, traveler and migration systems. ...
(Date:11/18/2014)... , Nov. 17, 2014 The Parenteral Drug ... U.S. regulatory agencies will speak and at least seven more ... Conference at the Omni Shoreham Hotel in Washington ... once again to have significant support from the regulatory agencies ... Europe in our effort to help advance ...
Breaking Biology News(10 mins):C-Labs Names Former Microsoft and Bsquare Executive as Chief Operating Officer 2Identity Management, Document Authentication and Biometric Companies Form "The Airport Entry and Exit Working Group", Releasing the Framework to Help Guide the Department of Homeland Security and Congress Towards Solutions 2Identity Management, Document Authentication and Biometric Companies Form "The Airport Entry and Exit Working Group", Releasing the Framework to Help Guide the Department of Homeland Security and Congress Towards Solutions 3FDA's Janet Woodcock, EMA's Emer Cooke Headline PDA Quality Metrics Conference 2
... 4, 2010 -- Supercomputer simulations at the Department of Energy,s ... acids could have contributed to the origins of life. ... directs ORNL,s Center for Molecular Biophysics and holds a Governor,s ... probe an organic chemical reaction that may have been important ...
... Rockville, MD, USA (October 4, 2010) The ... receipt of a grant from the United States Food ... immunological biomarkers for TB vaccine development. The FDA grant, ... researchers from the United States, the United Kingdom and ...
... Ben Major, PhD, assistant professor of cell and developmental ... of Health Director,s New Innovator Awards, one of the ... will fund his work to address a significant medical ... functionally contribute to specific cellular and disease processes such ...
Cached Biology News:Powerful supercomputer peers into the origin of life 2Aeras-led research consortium receives FDA support 2UNC scientist receives NIH director's New Innovator Award 2
(Date:11/26/2014)... , 25 novembre 2014 Theravalues Corporation ... sur le marché européen au salon Hi Europe ... Amsterdam ). Curcumine la plus ... technologie amorphe (non-cristalline) à des ingrédients approuvés par ... un pigment jaune présent dans la racine de ...
(Date:11/26/2014)... /PRNewswrie/ -- Theravalues Corporation annuncia con orgoglio il lancio ... di Hi Europe 2014 (dal 2 al 4 dicembre, ... della curcumina con la maggiore biodisponibilità di sempre, con ... approvati dalle norme europee. La curcumina è ... ( Curcuma longa ) che è stata associata con ...
(Date:11/24/2014)... Nov. 24, 2014  IGI Laboratories, Inc. (NYSE MKT: ... specialty generic pharmaceutical company, today announced it has submitted ... U.S. Food and Drug Administration (FDA), which brings the ... seven, with eighteen submissions now pending at the FDA. ... CEO of the Company, commented, "Our team here at ...
(Date:11/24/2014)... , Nov. 24, 2014  Last week, Representatives ... Butterfield (D-NC) took a bold bipartisan step ... introducing the OPEN Act. Original co-sponsors of the ... The Act will incentivize drug makers and innovators ... diseases and pediatric cancers, which opens the door ...
Breaking Biology Technology:La curcumine présentant la plus haute biodisponibilité bientôt en vente en Europe 2La curcumine présentant la plus haute biodisponibilité bientôt en vente en Europe 3La curcumina con la maggiore biodisponibilità di sempre farà il suo debutto in Europa 2La curcumina con la maggiore biodisponibilità di sempre farà il suo debutto in Europa 3IGI Laboratories, Inc. Announces ANDA Submission 2OPEN Act Introduced to Repurpose Drugs for Rare Diseases 2
... 2010 ... ... ... Results are keyed by longUrl, so we need to grab the first one. for (var r in data.results) { ...
... Inc. (OTC Bulletin Board: CSBR ), a ... and tumor specific data to enhance the value of ... joined the management team as the Chief Executive Officer ... Dr. Ronnie Morris will join the management team as ...
... Oct. 28 Q3 2010 Change on a reported ... 9 months 2010Change on a reported ... sales , €7,821m+5.7% , -1.7% , €22,989m+4.8% , ... €7,377m+8.7% , +6.0%Business EPS(1)€1.89+8.6%-2.3%€5.65+8.7%+6.0% In order to facilitate an understanding ...
Cached Biology Technology:Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 2Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 3Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 4Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 5Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 6Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 7Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 8Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 9Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 10Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 11Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 12Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 13Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 14Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 15Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 16Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 17Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 18Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 19Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 20Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 21Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 22Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 23Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 24Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 25Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 26Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 27Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 28Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 29Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 30Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 31Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 32Shire plc: Continued Excellent Performance in Q3, Full Year Earnings Expectations Increased, New Value in Pipeline Emerging 33Champions Biotechnology Reports Additions to its Management Team 2Champions Biotechnology Reports Additions to its Management Team 3Champions Biotechnology Reports Additions to its Management Team 4
... to the Salmonella Common Structural Antigens (CSA) ... serum pool of goats immunized with different ... broadly reactive to Salmonella and recognizes all ... excellent specificity for Group B and D ...
This antibody detects ubiquitinated proteins on SDS-PAGE immunoblots. It does not detect free ubiquitin....
... products into 1:, , A multi-tube homogenizer ... , ,The FastPrep System consists of ... Matrix and Isolation Kits. Samples are homogenized ... the use of metal probes and shearing ...
Abgene's ALTO-8 is the first automated decapper/capper for Abgene Twist-Lock tubes....
Biology Products: