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:1/4/2017)... Jan. 4, 2017  For the thousands of attendees at this year,s ... in connected health and biometric measurement devices and services, will be featuring ... On display in A&D Medical,s special CES Exhibit Suite , the ... expansion of the company,s WellnessConnected product platform.  ... ...
(Date:1/3/2017)... VEGAS , Jan. 3, 2017 Onitor, ... the introduction of Onitor Track, an innovative biometric data-driven ... men, showcasing this month at the 2017 Consumer Electronics ... In the U.S., the World Health ... more than two-thirds of adults who are overweight or ...
(Date:12/22/2016)... , December 22, 2016 SuperCom (NASDAQ: ... secure solutions for the e-Government, Public Safety, HealthCare, and Finance sectors ... SuperCom, has been selected to implement and deploy a community-based supportive ... Northern California , further expanding its presence in the ... This new ...
Breaking Biology News(10 mins):
(Date:1/24/2017)... Jan. 24, 2017  Neogen Corporation (NASDAQ: ... agreement with SenesTech Incorporated (NASDAQ: SNES ) ... being developed by SenesTech. The two firms had worked ... the SenesTech product was approved by the U.S. Environmental ... that the product could only be used by a ...
(Date:1/24/2017)... 24, 2017  Bruker today announced that ... leader in the development, manufacture, and sale ... Hysitron,s innovative nanomechanical testing instruments to Bruker,s ... surface profilometers, and tribology and mechanical testing ... nanomaterials research markets. Hysitron,s 2016 revenues were ...
(Date:1/24/2017)... , ... January 24, 2017 , ... ... label-free graphene biosensor assays for fragment-based screening, will showcase its proprietary ... Society for Laboratory Automation and Screening (SLAS) conference in Washington, D.C. from Feb. ...
(Date:1/24/2017)... ... 2017 , ... Edward Buckler, Ph.D., a research geneticist focused ... of Sciences Prize in Food and Agriculture Sciences. He is being honored for ... of Sciences (NAS) Prize in Food and Agriculture Sciences was established in 2016 ...
Breaking Biology Technology: