Forum for Science, Industry and Business

Sponsored by:     3M 
Search our Site:

 

Computational tool predicts how drugs work in cells, advancing efforts to design better medicines

10.03.2005


Boston University biomedical engineers, chemists collaborate on novel method



The ability to select and develop compounds that act on specific cellular targets has just gained a computational ally -- a mathematical algorithm that predicts the precise effects a given compound will have on a cell’s molecular components or chemical processes. Using this tool, drug developers can design compounds that will act on only desired gene and protein targets, eliciting therapeutic responses free of unwanted side effects.

The research, which appears in the March 4 issue of Nature Biotechnology, reports on collaborative work by a team of biomedical engineers and chemists at Boston University. The team was led by Tim Gardner, an assistant professor in the College of Engineering’s Department of Biomedical Engineering (BME) and its Center for BioDynamics, and James Collins, a professor in BME and co-director of the Center for BioDynamics, and done in collaboration with Scott Schaus and Sean Elliott, assistant professors in BU’s Department of Chemistry and Center for Chemical Methodology and Library Development (CMLD).


Although drug development is an active field of research, there have been few ways to predict optimal drug design. The molecular targets of many drug candidates are unknown and are often difficult to tease out from among the thousands of gene products found in a typical organism. This "blindness" in the welter of potential cellular targets means that the process of designing therapeutic drugs is neither precise nor efficient.

The BU research team sought to bring precision and efficiency to this discovery process. The team used a combination of computational and experimental methods to build and verify their tool, first using a reverse-engineering approach to decipher the multitude of regulatory networks operating among genes in a simple organism, then testing the ability of the resulting network models to predict gene and pathway targets for a variety of drug treatments. Finally, they used the tool to predict the molecular targets of a potential new anticancer compound, PTSB, shown in CMLD studies to inhibit growth in the test organism (baker’s yeast) as well as in human small lung carcinoma cells.

Their algorithm predicted, and subsequent experiments verified, that PTSB acted on thioredoxin and thioredoxin reductase, findings that not only validate the tool’s capability but could also pave the way to investigations of a potentially new class of therapeutic compounds.

Ann Marie Menting | EurekAlert!
Further information:
http://www.bu.edu
http://www.bu.edu/chemistry/
http://www.bu.edu/dbin/bme/

More articles from Life Sciences:

nachricht Ion treatments for cardiac arrhythmia — Non-invasive alternative to catheter-based surgery
20.01.2017 | GSI Helmholtzzentrum für Schwerionenforschung GmbH

nachricht Seeking structure with metagenome sequences
20.01.2017 | DOE/Joint Genome Institute

All articles from Life Sciences >>>

The most recent press releases about innovation >>>

Die letzten 5 Focus-News des innovations-reports im Überblick:

Im Focus: Traffic jam in empty space

New success for Konstanz physicists in studying the quantum vacuum

An important step towards a completely new experimental access to quantum physics has been made at University of Konstanz. The team of scientists headed by...

Im Focus: How gut bacteria can make us ill

HZI researchers decipher infection mechanisms of Yersinia and immune responses of the host

Yersiniae cause severe intestinal infections. Studies using Yersinia pseudotuberculosis as a model organism aim to elucidate the infection mechanisms of these...

Im Focus: Interfacial Superconductivity: Magnetic and superconducting order revealed simultaneously

Researchers from the University of Hamburg in Germany, in collaboration with colleagues from the University of Aarhus in Denmark, have synthesized a new superconducting material by growing a few layers of an antiferromagnetic transition-metal chalcogenide on a bismuth-based topological insulator, both being non-superconducting materials.

While superconductivity and magnetism are generally believed to be mutually exclusive, surprisingly, in this new material, superconducting correlations...

Im Focus: Studying fundamental particles in materials

Laser-driving of semimetals allows creating novel quasiparticle states within condensed matter systems and switching between different states on ultrafast time scales

Studying properties of fundamental particles in condensed matter systems is a promising approach to quantum field theory. Quasiparticles offer the opportunity...

Im Focus: Designing Architecture with Solar Building Envelopes

Among the general public, solar thermal energy is currently associated with dark blue, rectangular collectors on building roofs. Technologies are needed for aesthetically high quality architecture which offer the architect more room for manoeuvre when it comes to low- and plus-energy buildings. With the “ArKol” project, researchers at Fraunhofer ISE together with partners are currently developing two façade collectors for solar thermal energy generation, which permit a high degree of design flexibility: a strip collector for opaque façade sections and a solar thermal blind for transparent sections. The current state of the two developments will be presented at the BAU 2017 trade fair.

As part of the “ArKol – development of architecturally highly integrated façade collectors with heat pipes” project, Fraunhofer ISE together with its partners...

All Focus news of the innovation-report >>>

Anzeige

Anzeige

Event News

Sustainable Water use in Agriculture in Eastern Europe and Central Asia

19.01.2017 | Event News

12V, 48V, high-voltage – trends in E/E automotive architecture

10.01.2017 | Event News

2nd Conference on Non-Textual Information on 10 and 11 May 2017 in Hannover

09.01.2017 | Event News

 
Latest News

Helmholtz International Fellow Award for Sarah Amalia Teichmann

20.01.2017 | Awards Funding

An innovative high-performance material: biofibers made from green lacewing silk

20.01.2017 | Materials Sciences

Ion treatments for cardiac arrhythmia — Non-invasive alternative to catheter-based surgery

20.01.2017 | Life Sciences

VideoLinks
B2B-VideoLinks
More VideoLinks >>>