Home|Journals Follow on Twitter| Subscribe to List

Directory for Medical Articles
 

Open Access

1

RMJ. 2011; 36(3): 238-241


Molecular Docking helps in understanding the action of Paracetamol (acetaminophen): an approach towards finding a better COX2 inhibitor.

Muhammad Asif Qureshi, Taha Junaid Khan, Muhammad Saquib Qureshi.

Abstract
Background: Paracetamol is a very commonly used analgesic and antipyretic. Even after more than a century of discovery, its exact mechanism of action is still unclear. Consensus exists that paracetamol acts by inhibiting cyclooxygenases (COXs), but which isoform is specifically inhibited, remains debated. In humans, there are various COX isoforms including COX1 and COX2 amongst others. COX2 is an inducible isoform which is involved in several pathological conditions including inflammation, preneoplasia and neoplasia. Several COX2-inhibitors have been designed till date but almost all are associated with adverse side effects. Any drug able to replace them will therefore be a benchmark in pharmaceutics. Whether Paracetamol can be used as a COX2 inhibitor or not, is a major pharmacological enigma.
Objective: To test paracetamol binding to various COX isoforms in order to identify its potential use as a COX2 inhibitor.
Method: We used Bioinformatics to perform molecular docking of paracetamol with various COX-isoforms. Such approaches of drug-substrate associations are recently being emerged as a very powerful tool in the field of pharmaceutics.
Results: Our results show strongest binding of paracetamol with COX2 (E-value = -165.9) as compared to COX1 (E-value = -160.9) and COX3 (E-value = -149).
Conclusion: In light of our results, we propose Paracetamol as a potential COX2 inhibitor, a hypothesis that is worth testing to override the side effects caused by using currently available COX2-inhibitors. We therefore highlight the necessity of further studies to explore the use of paracetamol as an effective COX2-inhibitor.

Key words: COX2 inhibitor, drug designing, molecular docking, paracetamol



Share this Article


Advertisement
American Journal of Preventive Medicine and Public Health

SUBMIT YOUR ARTICLE NOW


ScopeMed Home
Follow ScopeMed on Twitter
BiblioCAM
Article Tools
eJPort Journal Hosting
About ScopeMed
License Information
Terms & Conditions
Privacy Policy
Suggest a Journal
Publisher Login
Contact Us

The articles in Scopemed are open access articles licensed under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License (https://creativecommons.org/licenses/by-nc-sa/4.0/) which permits unrestricted, non-commercial use, distribution and reproduction in any medium, provided the work is properly cited.
ScopeMed is a Database Service for Scientific Publications. Copyright ScopeMed Information Services.
Scopemed Buttons