Forum for Science, Industry and Business

Sponsored by:     3M 
Search our Site:

 

Experimental and computational investigation of affinity and selectivity factors in CYP2D6 and CYP3A4 mediated metabolism

04.10.2010
While computer simulations of how the body metabolises drugs save both time and money, the best results when developing new drugs come from combining such simulations with laboratory experiments, reveals a researcher from the University of Gothenburg.

“My research demonstrates the benefits of combining traditional laboratory experiments with computer-based calculation models to understand and explain how the body’s various enzymes interact with a drug when breaking it down,” says Britta Bonn from the University of Gothenburg’s Department of Chemistry. “It can really help when developing and designing molecules with the desired metabolic characteristics for a new drug.”

When developing new drugs, it is important to understand how they will be broken down in the body, and which products are formed during this process. This breakdown of foreign substances is known as metabolism, and can be viewed as the conversion of the drug to a non-toxic, water-soluble product that can easily leave the body, in urine for example.

Enzymes does the job

Drug metabolism is the work of catalysts known as enzymes, and generally takes place in the liver. If a drug is broken down too effectively, it may not have the desired effect, and toxic metabolic products may form. It is therefore important to study and understand how drugs are broken down.

Traditionally laboratory experiments have been used to study drug/enzyme interactions, for example in cell-based systems in test tubes (in vitro). Recent years have also brought major progress in computer-based models (in silico) and information on the enzymes’ 3D structures.

Combines in vitro and in silico

Britta Bonn has focused on two important enzymes from the CYP family, which are the most common drug-metabolising enzymes, both in vitro and in silico to understand how they interact with foreign substances.

“My studies aimed to find out things like how well a molecule binds to the enzymes, why a molecule binds better to one enzyme than another, and how quickly and where in the molecule metabolism occurs,” says Bonn. “If we know more, we can change the molecules to produce the characteristics we’re after for new drugs.”

The thesis Experimental and Computational Investigation of Affinity and Selectivity Factors in CYP2D6 and CYP3A4 Mediated Metabolism will be defended on 24 September 2010. The supervisors were professor Kristina Luthman, professor Collen Masimirembwa and Dr Ismael Zamora.

Download the thesis.: http://hdl.handle.net/2077/22586

For more information, please contact:
Britta Bonn,
Tel. +46 707 91 36 57
+46 707 91 36 57
kjelland@chem.gu.se
Bibliographic data:
Title: Exploration of Catalytic Properties of CYP2D6 and CYP3A4 Through Metabolic Studies of
Levorphanol and Levallorphan.
Authors: Exploration of Catalytic Properties of CYP2D6 and CYP3A4 Through Metabolic Studies of
Levorphanol and Levallorphan. Bonn B., Masimirembwa C.M., and Castagnoli N. Drug Metabolism
and Disposition 2010, 38; 187-199.
Bonn B., Masimirembwa C.M., and Castagnoli N.
Journal: Drug Metabolism and Disposition 2010, 38; 187-199.
Link: http://dmd.aspetjournals.org/content/38/1/187

Helena Aaberg | idw
Further information:
http://hdl.handle.net/2077/22586
http://dmd.aspetjournals.org/content/38/1/187

More articles from Studies and Analyses:

nachricht Novel study underscores microbial individuality
13.12.2019 | Bigelow Laboratory for Ocean Sciences

nachricht TU Dresden biologists examine sperm quality on the basis of their metabolism
29.11.2019 | Technische Universität Dresden

All articles from Studies and Analyses >>>

The most recent press releases about innovation >>>

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

Im Focus: Miniature double glazing: Material developed which is heat-insulating and heat-conducting at the same time

Styrofoam or copper - both materials have very different properties with regard to their ability to conduct heat. Scientists at the Max Planck Institute for Polymer Research (MPI-P) in Mainz and the University of Bayreuth have now jointly developed and characterized a novel, extremely thin and transparent material that has different thermal conduction properties depending on the direction. While it can conduct heat extremely well in one direction, it shows good thermal insulation in the other direction.

Thermal insulation and thermal conduction play a crucial role in our everyday lives - from computer processors, where it is important to dissipate heat as...

Im Focus: Fraunhofer IAF establishes an application laboratory for quantum sensors

In order to advance the transfer of research developments from the field of quantum sensor technology into industrial applications, an application laboratory is being established at Fraunhofer IAF. This will enable interested companies and especially regional SMEs and start-ups to evaluate the innovation potential of quantum sensors for their specific requirements. Both the state of Baden-Württemberg and the Fraunhofer-Gesellschaft are supporting the four-year project with one million euros each.

The application laboratory is being set up as part of the Fraunhofer lighthouse project »QMag«, short for quantum magnetometry. In this project, researchers...

Im Focus: How Cells Assemble Their Skeleton

Researchers study the formation of microtubules

Microtubules, filamentous structures within the cell, are required for many important processes, including cell division and intracellular transport. A...

Im Focus: World Premiere in Zurich: Machine keeps human livers alive for one week outside of the body

Researchers from the University Hospital Zurich, ETH Zurich, Wyss Zurich and the University of Zurich have developed a machine that repairs injured human livers and keep them alive outside the body for one week. This breakthrough may increase the number of available organs for transplantation saving many lives of patients with severe liver diseases or cancer.

Until now, livers could be stored safely outside the body for only a few hours. With the novel perfusion technology, livers - and even injured livers - can now...

Im Focus: SuperTIGER on its second prowl -- 130,000 feet above Antarctica

A balloon-borne scientific instrument designed to study the origin of cosmic rays is taking its second turn high above the continent of Antarctica three and a half weeks after its launch.

SuperTIGER (Super Trans-Iron Galactic Element Recorder) is designed to measure the rare, heavy elements in cosmic rays that hold clues about their origins...

All Focus news of the innovation-report >>>

Anzeige

Anzeige

VideoLinks
Industry & Economy
Event News

11th Advanced Battery Power Conference, March 24-25, 2020 in Münster/Germany

16.01.2020 | Event News

Laser Colloquium Hydrogen LKH2: fast and reliable fuel cell manufacturing

15.01.2020 | Event News

„Advanced Battery Power“- Conference, Contributions are welcome!

07.01.2020 | Event News

 
Latest News

A new 'cool' blue

17.01.2020 | Life Sciences

EU-project SONAR: Better batteries for electricity from renewable energy sources

17.01.2020 | Power and Electrical Engineering

Neuromuscular organoid: It’s contracting!

17.01.2020 | Life Sciences

VideoLinks
Science & Research
Overview of more VideoLinks >>>