MOLECULAR DOCKING ANALYSIS OF GLABRIDIN AND DEXAMETHASONE FOR TARGETING INFLAMMATORY PATHWAYS IN ORAL SUBMUCOUS FIBROSIS
Main Article Content
Keywords
.
Abstract
The study aimed to evaluate the anti inflammatory potential of Glabridin, a phytochemical found in Licorice, by virtually assessing its binding efficacy on multiple protein surfaces using molecular docking. The X-ray crystallographic structure of the target proteins was downloaded from the Protein Data Bank, and ligand preparation was done using Ligprep. Molecular docking was performed using the Glide algorithm, and all results were analyzed using Glide Score. The study found that Glabridin significantly interacted with all the target proteins, with docking scores ranging from -4 to -10. The findings of this study suggest that Glabridin could potentially be used to treat OSMF due to its anti-inflammatory property. However, further studies are needed to validate these results in vitro and in vivo.
References
2. More CB, Jatti Patil D, Rao NR. Medicinal management of oral submucous fibrosis in the past decade- A systematic review. J Oral Biol Craniofac Res. 2020;10(4):552–68.
3. Gaikwad P, Iyer J, Fulsundar P, Darak R. A review of various allied therapies for treatment of oral Submucous Fibrosis. 2018
4. Amritha James, Dr. Ramya R., Ramya. M, Preethi Arunachalam, Lekshmy Jayan, “Study of Binding Modes of Active Ingredient of Licorice on TGF-β receptor: A Molecular Docking Approach”, IJDSIR- March - 2020, Vol. – 3, Issue -2, P. No. 73 -78.
5. C.V. Chandrasekaran , H.B. Deepak, P. Thiyagarajan, S. Kathiresan, Gopal Krishna Sangli, M. Deepak, Amit Agarwal (2011) Dual inhibitory effect of Glycyrrhiza glabra (GutGardTM) on COX and LOX products, Phytomedicine, 18, pp.278-284
6. Rina Herowati and Gunawan Pamudji Widodo (2017) Molecular Docking Analysis: Interaction Studies of Natural Compounds to Anti-inflammatory Targets, Quantitative Structure-activity Relationship, IntechOpen.
7. Halim SA, Jawad M (2015) Attempt to Explore the Binding Mechanism of IL-1β Inhibitors via Molecular Docking Studies, Med chem 5,pp. 452-457.
8. Gautam Sethi, Bokyung Sung, Bharat B. Aggarwal (2008), TNF: A master switch for inflammation to cancer, Frontiers in Bioscience, pp 5094- 5107.
9. Chung-Hung Tsai, Ming-Yung Chou, Yu-Chao Chang (2003), The up-regulation of cyclooxygenase-2 expression in human buccal mucosal fibroblasts by arecoline: a possible role in the pathogenesis of OralSubmucousFibrosis, J Oral Pathol Med, 32, pp.156-153.
10. Leena James , Akshay Shetty , Diljith Rishi , Marin Abraham (2015), Management of Oral Submucous Fibrosis with Injection of Hyaluronidase and Dexamethasone in Grade 3 Oral Submucous Fibrosis: A Retrospective Study, Journal of International Oral Health, 7(8), pp.82-85
11. Leena James , Akshay Shetty , Diljith Rishi , Marin Abraham (2015), Management of Oral Submucous Fibrosis with Injection of Hyaluronidase and Dexamethasone in Grade 3 Oral Submucous Fibrosis: A Retrospective Study, Journal of International Oral Health, 7(8), pp.82-85
Article Sidebar
Article Details
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.
All articles published in JPTCP are licensed under Copyright Creative Commons Attribution-NonCommercial 4.0 International License.
Lekshmy J
Research scholar, S Ramaiah university, Karnataka, India.
Rakesh Nagaraju
Professor, MS Ramaiah college of dental sciences, Karnataka, India.
Saraswathy G R
Professor, MS Ramaiah college of pharmacy, Karnataka, India.