A novel formulation with potential for improving osteoarthritis mediated through COX2 and MMP9 receptors Online publication date: Mon, 08-Nov-2021
by Mohit M. Jain; Geeta Rai
International Journal of Computational Biology and Drug Design (IJCBDD), Vol. 14, No. 4, 2021
Abstract: Osteoarthritis is a most common form of arthritis, affecting the synovial joints and characterised by loss of cartilage. Current treatment mostly includes non-steroidal anti-inflammatory drugs which have limited advantage and high associated cytotoxicity. In this study, we evaluated a formulation joint joy containing ingredients from natural sources like Withania somnifera, Curcumin-C3-complex along with Glucosamine and Chondroitin Sulphate, insilico for mechanism involved in improvement of osteoarthritis. We conducted molecular docking and ADMET analysis of these compounds on COX-2R- and MMP-9- receptors, which are implicated in inflammation and joint degradation and are also key therapeutic targets for drugs against joint degradation. Binding free energy was calculated and information on hydrogen bonds, interacting residues and drug-likeness properties were generated. Molecular docking and pharmacokinetics analysis showed docking scores of joint joy ingredients comparable to that of reference drug celecoxib, suggesting that the formulation has the potential to improve the joint pain and inflammation of osteoarthritis patients.
Existing subscribers:
Go to Inderscience Online Journals to access the Full Text of this article.
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Computational Biology and Drug Design (IJCBDD):
Login with your Inderscience username and password:
Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.
If you still need assistance, please email subs@inderscience.com