Navigation Links
Where do the drugs go?
Date:7/27/2010

College Park, MD (July 27, 2010) -- Drug delivery inside the body is a complicated process. Compounds travel through a maze of aqueous solutions, lipid membranes, and barriers between the blood and tissues like the brain. Research reported in the American Institute of Physics publication the Journal of Chemical Physics presents a theoretical model that accurately predicts the hydration free energy (HFE) of a wide variety of organic compounds.

"HFE determines solubility and allows accurate prediction of a compound's path in a complex environment," says author Maxim Fedorov of the Max Planck Institute for Mathematics in the Sciences. "For example, in passive transport, you want to know that the compound will cross a lipid layer into the aqueous environment inside a cell rather than moving back into the surrounding aqueous environment."

Unfortunately, HFE is not measured easily or quickly, so it is available for only about a thousand of the 20 million known organic compounds. Standard prediction methods are inaccurate. The new model used a database of about 50 known HFE values to build a theoretical model using computational hydration thermodynamics and chemo-informatic techniques. "Our predictions are accurate and very cheap computationally, requiring only 10 to 20 seconds on a PC," says Fedorov.

The ultimate goal is to predict the movement of a compound in a complex environment and to screen large databases of candidate compounds for desirable characteristics. In addition to the pharmaceutical applications, Fedorov sees potential application in modeling the environmental flow of agricultural chemicals or industrial pollutants.


'/>"/>

Contact: Jason Socrates Bardi
jbardi@aip.org
301-209-3091
American Institute of Physics
Source:Eurekalert

Page: 1

Related biology news :

1. Next generation surgical robots: Wheres the doctor?
2. Where the wild veggies are
3. Case study analyzes why, where and when of leading shark attack site
4. Hopkins researchers put proteins right where they want them
5. Where did insects come from?
6. S&P Equity Research; Health Care Reform After The Buzzsaw - Where Are We Now?
7. Retail Anywhere Adds U.are.U Biometrics From DigitalPersona to Flagship Point of Sale Solution
8. Where do puffins go in the winter?
9. UTSA plant biologists publish where their peers are -- on the Web
10. Healthy food availability could depend on where you live -- so does the quality of your diet
11. When fish farms are built along the coast, where does the waste go?
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:6/2/2016)... The Department of Transport Management (DOTM) ... million US Dollar project, for the , Supply ... Enrolment, and IT Infrastructure , to ... implementation of Identity Management Solutions. Numerous renowned international vendors participated ... was selected for the most compliant and innovative ...
(Date:6/2/2016)... Perimeter Surveillance & Detection Systems, Biometrics & ... & Other Service  The latest report from ... of the global Border Security market . Visiongain ... billion in 2016. Now: In November 2015 ... and hardware technologies for advanced video surveillance. ...
(Date:5/24/2016)... -- Ampronix facilitates superior patient care by providing unparalleled technology to leaders of the ... latest premium product recently added to the range of products distributed by Ampronix. ... ... ... Display- Ampronix News ...
Breaking Biology News(10 mins):
(Date:6/23/2016)... , June 23, 2016   Boston ... of novel compounds designed to target cancer stemness ... has been granted Orphan Drug Designation from the ... treatment of gastric cancer, including gastroesophageal junction (GEJ) ... inhibitor designed to inhibit cancer stemness pathways by ...
(Date:6/23/2016)... SILVER SPRING, Md. , June 23, 2016 ... evidence collected from the crime scene to track the criminal ... sick, and the U.S. Food and Drug Administration (FDA) uses ... Sound far-fetched? It,s not. ... whole genome sequencing to support investigations of foodborne illnesses. Put ...
(Date:6/23/2016)... ... June 23, 2016 , ... Charm Sciences, ... microbial test has received AOAC Research Institute approval 061601. , “This is another ... year,” stated Bob Salter, Vice President of Regulatory and Industrial Affairs. “The Peel ...
(Date:6/23/2016)... NEW YORK , June, 23, 2016  The ... students to envision new ways to harness living systems ... of Modern Art (MoMA) in New York ... more than 130 participating students, showcased projects at MoMA,s ... included Paola Antonelli , MoMA,s senior curator of ...
Breaking Biology Technology: