Corporate Banner
Satellite Banner
Technology
Networks
Scientific Communities
 
Become a Member | Sign in
Home>News>This Article
  News
Return

Molecular Modelling to Help Create Better, Safer Drugs

Published: Friday, May 24, 2013
Last Updated: Friday, May 24, 2013
Bookmark and Share
How our bodies break down the common drugs ibuprofen, diclofenac and warfarin is the subject of a new study from the University of Bristol.

The research should ultimately help predict how new drugs will be metabolized in the body, potentially helping avoid adverse drug reactions in future.

Professor Adrian Mulholland of the School of Chemistry and colleagues used molecular modelling to show in atomic detail how ibuprofen, diclofenac and warfarin are broken down by a group of enzymes called cytochrome P450s which play an important part in the metabolism of drugs.

Cytochrome P450s break down drugs by adding oxygen atoms to them, thus making them more soluble in water and easier to remove from the body.  It's important that drugs are broken down in this way so they don't accumulate to toxic levels.  However, it's also important that the drugs aren't broken down too quickly otherwise they won't stay in the body long enough to work.

Different people have different types of P450 which mean they break down drugs more quickly or more slowly.  Potentially harmful complications can also sometimes occur, for example, other drugs can 'block up' P450s thus interfering with the metabolism of a particular drug.  Other substances can also interfere with the process, for example grapefruit and grapefruit juice contain a molecule that 'inhibits' some cytochrome P450s, preventing them from breaking down  drugs.  This can cause the drug to build up to a toxic – and possibly lethal – level.

Professor Mulholland said: "An important aim in developing a safe, effective drug is understanding how it will be broken down in the body.  This process would be made quicker, cheaper and safer if we could predict reliably – for example, by using computers – how a candidate drug reacts in the body.

"This study uses molecular modelling methods which are able to describe chemical reactions in large and complex enzymes such as cytochrome P450s.  Our results agree well with experiments, and point to how modelling of this sort can help in developing predictions of drug metabolism."


Further Information

Join For Free

Access to this exclusive content is for Technology Networks Premium members only.

Join Technology Networks Premium for free access to:

  • Exclusive articles
  • Presentations from international conferences
  • Over 4,000+ scientific posters on ePosters
  • More Than 5,300+ scientific videos on LabTube
  • 35 community eNewsletters


Sign In



Forgotten your details? Click Here
If you are not a member you can join here

*Please note: By logging into TechnologyNetworks.com you agree to accept the use of cookies. To find out more about the cookies we use and how to delete them, see our privacy policy.

Related Content

Human Trials of Manufactured Blood Within Two Years
The first human trials of lab-produced blood to help create better-matched blood for patients with complex blood conditions has been announced by NHS Blood and Transplant.
Monday, June 29, 2015
Researchers to Use Algae to Clean up Mine Water
Algae will harvest the precious heavy metals and produce biofuel at the same time.
Friday, December 05, 2014
‘Switching off’ Autoimmune Diseases
Scientists have made an important breakthrough in the fight against debilitating autoimmune diseases by revealing how to stop cells attacking healthy body tissue.
Thursday, September 04, 2014
Protein Responsible for Controlling Communication Between Brain Cells Identified
Scientists are a step closer to understanding how some of the brain’s 100 billion nerve cells co-ordinate their communication.
Thursday, November 28, 2013
Manipulation of Protein Could Help Stop Spread of Cancer Cells
New findings, published in the Nature journal Oncogene, reveal how a protein, PRH, is normally able to prevent cells from unnecessary migration.
Monday, November 18, 2013
Dogs Could Act as Effective Early-Warning System for Patients with Diabetes
Dogs that are trained to respond to their owners’ hypoglycaemia could offer a very effective way to alert diabetic patients of impending lowered blood sugars.
Wednesday, August 21, 2013
Sixteen New Genetic Regions for Allergies Discovered
Regions discovered during two of the largest genetic studies ever conducted on common allergies, including pollen, dust-mite and cat allergies.
Monday, July 01, 2013
Researchers Find Key to Blood-Clotting Process
Researchers have uncovered a key process in understanding how blood clots form that could help pave the way for new therapies to reduce the risk of heart attacks.
Wednesday, June 26, 2013
Random Walks on DNA
Scientists have revealed how a bacterial enzyme has evolved an energy-efficient method to move long distances along DNA.
Monday, April 22, 2013
Major Breakthrough in Deciphering Bread Wheat's Genetic Code
UK, German and US scientists decipher complex genetic code to create new tools for breeders and researchers across the world.
Thursday, November 29, 2012
Debating the Science and Ethics of Synthetic Biology
The science and ethics of synthetic biology and what it means for the UK will be the subject of a Royal Society of Chemistry debate to be streamed live on Wednesday 14 November.
Tuesday, November 06, 2012
Scientific News
Big Genetics in BC: The American Society for Human Genetics 2016 Meeting
Themes at this year's meeting ranged from the verification, validation, and sharing of data, to the translation of laboratory findings into actionable clinical results.
Stem Cells in Drug Discovery
Potential Source of Unlimited Human Test Cells, but Roadblocks Remain.
Automated Low Volume Dispensing Trends
Gain a better understanding of the current and future market requirements for fully automated LVD systems.
Personality Traits, Psychiatric Disorders Linked to Specific Genomic Locations
Researchers have unearthed genetic correlations between personality traits and psychiatric disorders.
Forensic 3D Documentation of Skin Injuries
In this study, the validity of using photogrammetry for documenting injuries in a pathological context was demonstrated.
3-D Printed Dog’s Nose Improves Vapor Detection
By mimicking how dogs get their whiffs, a team of government and university researchers have demonstrated that “active sniffing” can improve by more than 10 times the performance of current technologies that rely on continuous suction to detect trace amounts of explosives and other contraband.
New Markers for Forensic Body-fluid Identification
University of Bonn researchers have successfully identified specific Micro-RNA signatures to help forensically identify body fluids.
Genetics Control Regenerative Properties Of Stem Cells
Researchers define how genetic factors control regenerative properties of blood-forming stem cells.
Major Neuroscience Initiative Launched
Tianqiao and Chrissy Chen Institute invest $115 million to further expand neuroscience research, while Caltech construct $200 million biosciences complex.
Making It Personal
Cancer vaccine linked to increased immune response against leukemia cells.
Scroll Up
Scroll Down
Skyscraper Banner

SELECTBIO Market Reports
Go to LabTube
Go to eposters
 
Access to the latest scientific news
Exclusive articles
Upload and share your posters on ePosters
Latest presentations and webinars
View a library of 1,800+ scientific and medical posters
4,000+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
5,300+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FOR FREE!