A novel formulation with potential for improving osteoarthritis mediated through COX2 and MMP9 receptors
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.

Online publication date: Mon, 08-Nov-2021

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