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 Fracking prompts global spike in atmospheric methane
14.08.2019 | European Geosciences Union

nachricht Virtual treasure hunt shows brain maps time sequence of memories
06.08.2019 | Max-Planck-Institut für Kognitions- und Neurowissenschaften

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: Hamburg and Kiel researchers observe spontaneous occurrence of skyrmions in atomically thin cobalt films

Since their experimental discovery, magnetic skyrmions - tiny magnetic knots - have moved into the focus of research. Scientists from Hamburg and Kiel have now been able to show that individual magnetic skyrmions with a diameter of only a few nanometres can be stabilised in magnetic metal films even without an external magnetic field. They report on their discovery in the journal Nature Communications.

The existence of magnetic skyrmions as particle-like objects was predicted 30 years ago by theoretical physicists, but could only be proven experimentally in...

Im Focus: Physicists create world's smallest engine

Theoretical physicists at Trinity College Dublin are among an international collaboration that has built the world's smallest engine - which, as a single calcium ion, is approximately ten billion times smaller than a car engine.

Work performed by Professor John Goold's QuSys group in Trinity's School of Physics describes the science behind this tiny motor.

Im Focus: Quantum computers to become portable

Together with the University of Innsbruck, the ETH Zurich and Interactive Fully Electrical Vehicles SRL, Infineon Austria is researching specific questions on the commercial use of quantum computers. With new innovations in design and manufacturing, the partners from universities and industry want to develop affordable components for quantum computers.

Ion traps have proven to be a very successful technology for the control and manipulation of quantum particles. Today, they form the heart of the first...

Im Focus: Towards an 'orrery' for quantum gauge theory

Experimental progress towards engineering quantized gauge fields coupled to ultracold matter promises a versatile platform to tackle problems ranging from condensed-matter to high-energy physics

The interaction between fields and matter is a recurring theme throughout physics. Classical cases such as the trajectories of one celestial body moving in the...

Im Focus: A miniature stretchable pump for the next generation of soft robots

Soft robots have a distinct advantage over their rigid forebears: they can adapt to complex environments, handle fragile objects and interact safely with humans. Made from silicone, rubber or other stretchable polymers, they are ideal for use in rehabilitation exoskeletons and robotic clothing. Soft bio-inspired robots could one day be deployed to explore remote or dangerous environments.

Most soft robots are actuated by rigid, noisy pumps that push fluids into the machines' moving parts. Because they are connected to these bulky pumps by tubes,...

All Focus news of the innovation-report >>>

Anzeige

Anzeige

VideoLinks
Industry & Economy
Event News

The power of thought – the key to success: CYBATHLON BCI Series 2019

16.08.2019 | Event News

4th Hybrid Materials and Structures 2020 28 - 29 April 2020, Karlsruhe, Germany

14.08.2019 | Event News

What will the digital city of the future look like? City Science Summit on 1st and 2nd October 2019 in Hamburg

12.08.2019 | Event News

 
Latest News

Making small intestine endoscopy faster with a pill-sized high-tech camera

23.08.2019 | Medical Engineering

More reliable operation offshore wind farms

23.08.2019 | Power and Electrical Engineering

Tracing the evolution of vision

23.08.2019 | Life Sciences

VideoLinks
Science & Research
Overview of more VideoLinks >>>