Featured Research

from universities, journals, and other organizations

Testing new medicines: Predicting human oral bioavailability

Date:
November 28, 2012
Source:
Inderscience
Summary:
Being able to predict the amount of medicine that, once taken orally, effectively reaches the blood circulation is one of the most pressing issues in drug development. Now, researchers have turned to the computer to help them develop an evolutionary new approach that could predict which drugs are able to achieve their healing purpose and which ones can be excluded from further tests.

Being able to predict the amount of medicine that, once taken orally, effectively reaches the blood circulation is one of the most pressing issues in drug development. Now, researchers in Portugal and Italy have turned to the computer to help them develop an evolutionary new approach that could predict which drugs are able to achieve their healing purpose and which ones can be excluded from further tests.

Sara Silva of Instituto de Engenharia de Sistemas e Computadores -- Inverstigação e Desenvolvimento em Lisboa (INESC-ID), Portugal, and Leonardo Vanneschi of the University of Milano-Bicocca, Milan, Italy (now developing his research at the Instituto Superior de Estatística e Gestão de Informação, ISEGI, of the Nova University of Lisbon, Portugal), explain that medications given by mouth must survive a tortuous and hazardous route to their site of action in the body. First, they must pass from the mouth, down the esophagus and be absorbed by the gut wall. They are then carried to the liver by the hepatic portal vein. Along the way they might become bound and deactivated by plasma proteins and once in the liver enzymes could attack them breaking them down. Only a fraction of the drug initially swallowed might exit the liver, enter the blood stream and circulate to where it is needed and so have a therapeutic effect.

Identifying which drug molecules will survive the journey is difficult. Many drugs that show promise in early design and testing fail later as they prove not to be absorbed well by the gut or otherwise fail to make the grade. Additionally, break down products formed in the liver might be toxic and so side-effects become apparent.

Silva and Vanneschi have extended the well-known computational technique of genetic programming to help them devise a more efficient way of predicting which molecules will work when given by mouth. Genetic programming involves feeding the properties of known orally active drug molecules into the computer and selecting and combining those features of the computer programs that are successful in predicting oral bioavailability correctly. Ineffective programs are deleted and the successful features are then used to build a next generation of programs. With each successive generation the evolved programs gets fitter, in the Darwinian sense, hence the notion of genetic programming.

Once a fit program has been evolved, it can then be used to test candidate molecules the oral bioavailability of which is unknown. The team has now found a way to avoid "bloat" in the production of successive program generations, an issue that has plagued scientists hoping to develop an efficient algorithm for drug testing.


Story Source:

The above story is based on materials provided by Inderscience. Note: Materials may be edited for content and length.


Journal Reference:

  1. Sara Silva, Leonardo Vanneschi. Bloat free Genetic Programming: application to human oral bioavailability prediction. Int. J. Data Mining and Bioinformatics, 2012, 6, 585-601 DOI: 10.1504/IJDMB.2012.050266

Cite This Page:

Inderscience. "Testing new medicines: Predicting human oral bioavailability." ScienceDaily. ScienceDaily, 28 November 2012. <www.sciencedaily.com/releases/2012/11/121128093436.htm>.
Inderscience. (2012, November 28). Testing new medicines: Predicting human oral bioavailability. ScienceDaily. Retrieved April 17, 2014 from www.sciencedaily.com/releases/2012/11/121128093436.htm
Inderscience. "Testing new medicines: Predicting human oral bioavailability." ScienceDaily. www.sciencedaily.com/releases/2012/11/121128093436.htm (accessed April 17, 2014).

Share This



More Health & Medicine News

Thursday, April 17, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Could Even Casual Marijuana Use Alter Your Brain?

Could Even Casual Marijuana Use Alter Your Brain?

Newsy (Apr. 16, 2014) — A new study conducted by researchers at Northwestern and Harvard suggests even casual marijuana use can alter your brain. Video provided by Newsy
Powered by NewsLook.com
Thousands Of Vials Of SARS Virus Go Missing

Thousands Of Vials Of SARS Virus Go Missing

Newsy (Apr. 16, 2014) — A research institute in Paris somehow misplaced more than 2,000 vials of the deadly SARS virus. Video provided by Newsy
Powered by NewsLook.com
Formerly Conjoined Twins Released From Dallas Hospital

Formerly Conjoined Twins Released From Dallas Hospital

Newsy (Apr. 16, 2014) — Conjoined twins Emmett and Owen Ezell were separated by doctors in August. Now, nearly nine months later, they're being released from the hospital. Video provided by Newsy
Powered by NewsLook.com
Ebola Outbreak Now Linked To 121 Deaths

Ebola Outbreak Now Linked To 121 Deaths

Newsy (Apr. 15, 2014) — The ebola virus outbreak in West Africa is now linked to 121 deaths. Health officials fear the virus will continue to spread in urban areas. Video provided by Newsy
Powered by NewsLook.com

Search ScienceDaily

Number of stories in archives: 140,361

Find with keyword(s):
 
Enter a keyword or phrase to search ScienceDaily for related topics and research stories.

Save/Print:
Share:  

Breaking News:
from the past week

In Other News

... from NewsDaily.com

Science News

Health News

Environment News

Technology News



Save/Print:
Share:  

Free Subscriptions


Get the latest science news with ScienceDaily's free email newsletters, updated daily and weekly. Or view hourly updated newsfeeds in your RSS reader:

Get Social & Mobile


Keep up to date with the latest news from ScienceDaily via social networks and mobile apps:

Have Feedback?


Tell us what you think of ScienceDaily -- we welcome both positive and negative comments. Have any problems using the site? Questions?
Mobile iPhone Android Web
Follow Facebook Twitter Google+
Subscribe RSS Feeds Email Newsletters
Latest Headlines Health & Medicine Mind & Brain Space & Time Matter & Energy Computers & Math Plants & Animals Earth & Climate Fossils & Ruins