Navigation Links
Computational Tool Predicts How Drugs Work In Cells, Advancing Efforts To Design Better Medicines

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 ta rgets 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.

In addition to Gardner, Collins, Schaus, and Elliott, the research team included Diego di Bernardo, an investigator at the Telethon Institute for Genetics and Medicine in Naples, Italy; Michael Thompson, a research associate in BU’s Center for BioDynamics; and BU students Erin Eastwood, a graduate student in chemistry, and Sarah Chobot and Andrew Wojtovich, chemistry undergraduates in the College of Arts and Sciences.

The research was supported by funds from the Department of Energy, the National Institutes of Health, the National Heart, Lung, and Blood Institute’s Proteomics Initiative, the Whitaker Foundation, the National Science Foundation, Boston University, and the Pharmaceutical Research and Manufacturers of America Foundation.


'"/>

Source:Boston University


Related biology news :

1. Supercomputer Dedicated To Bioengineering, Computational Biology Installed
2. Institute for Systems Biology Symposium Addresses Need for Better Computational Tools
3. Computational Method Speeds Mapping of Cell Signaling Networks
4. Computational verification of protein-protein interactions by orthologous co-expression
5. Computational model simulates AZT metabolism in mitochondria
6. Computational analysis shows that plant hormones often go it alone
7. Chromosome Deletion Predicts Aggressive Neuroblastoma
8. Measuring Enzymes At End Of Cancer Pathway Predicts Outcome Of Tarceva, Taxol
9. HIV Patients May Be at Risk of Heart Problems When Taking Protease Inhibitor Drugs
10. New Drugs For Bad Bugs: UF Approach Could Bolster Antibiotic Arsenal
11. FDA Announces Series of Changes to the Class of Marketed Non-Steroidal Anti-Inflammatory Drugs (NSAIDs)
Post Your Comments:
*Name:
*Comment:
*Email:


(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 ...
(Date:3/22/2016)... March 22, 2016 ... Sensors Market for Consumer Industry by Type (Image, ... Application (Communication & IT, Entertainment, Home Appliances, ... Forecast to 2022", published by MarketsandMarkets, the ... to reach USD 26.76 Billion by 2022, ...
(Date:3/21/2016)... March 22, 2016 Unique ... passcodes for superior security   ... provider of secure digital communications services, today announced it ... and offer enterprise customers, particularly those in the Financial ... and voice authentication within a mobile app, alongside, and ...
Breaking Biology News(10 mins):
(Date:5/24/2016)...   MedyMatch Technology Ltd ., the data analytics healthcare ... support tools in the emergency room, announced today that it ... Technology Industries (IATI) BioMed Conference. The Conference ... National Life Sciences and Technology Week, and is being held ... Tel Aviv, Israel . Gene Saragnese ...
(Date:5/23/2016)... ... 23, 2016 , ... PrecisionAg® Media has released its latest ... The paper outlines the key trends that are creating both opportunities and challenges ... lot of highs and lows as the precision agriculture market has grown and ...
(Date:5/23/2016)... ... May 23, 2016 , ... RoviSys, a leading independent ... Aurora, Ohio, has broken ground on a new building in Holly Springs, NC. ... this new location solidifies a commitment to business in the region. The new ...
(Date:5/20/2016)... (PRWEB) , ... May 20, 2016 , ... Kablooe Design, ... goods companies, today announced its official 25th anniversary of the business. “We have worked ... so grateful to our customers for the privilege and honor of serving their product ...
Breaking Biology Technology: