Research Journal of Pharmacy and Technology
Year : 2020, Volume : 13, Issue : 9
First page : ( 4269) Last page : ( 4273)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2020.00753.2

Anti-arthritic and anti-inflammatory polyphenols from Caryota urens L.: A molecular docking analysis

Sujitha Balaji, Kripa Kavasseri Ganesan*

Department of Biochemistry, VISTAS, Chennai-600 117, India

*Corresponding Author E-mail: kgkripa.sls@velsuniv.ac.in, kripasiva06@yahoo.co.in

Online published on 16 September, 2020.

Abstract

Background:Oxidative stress mediated by reactive oxygen species (ROS) play a crucial role in the initiation and progression of rheumatoid arthritis. Excessive production of ROS is identified in the synovial fluid of inflamed rheumatoid joints. It is reported that drugs which inhibit TNF-alpha can decrease the level of oxidative stress marker in rheumatoid arthritis patients. Phytocompounds derived from natural products are excellent inhibitors of free radicals. Caryota urens also known as wine palm, jaggery palm has been used for centuries in traditional medicines for the prevention of inflammatory diseases. The free radical scavenging ability of C.urens is shown by various studies. The current study was aimed to investigate whether if the active constituents of C.urens leaf hydroalcoholic extract (CULHA) umbelliferone and rutin inhibit rheumatoid arthritis by blocking TNF-alpha. Method: A homology model of TNF alpha was designed using Pymol. Based on Lamarckian genetic algorithm, energy minimized ligands were docked against active site of TNF-alpha using Autodock 4.2. The binding sites were analysed using Discovery studio. Results: Rutin and umbelliferone demonstrated higher affinity to TNF-alpha with a binding free energy of -5.09 and -4.41 respectively. Rutin displayed 6 hydrogen bonds to TNF alpha, whereas umbelliferone showed 5 hydrogen bonding. Conclusions: Our results conclude rutin and umbelliferone can serve as an excellent inhibitor of TNF-alpha and are promising candidates for further research.

Top

Keywords

TNF alpha, Caryota urens, Rutin, Umbelliferone, Rheumatoid arthritis.

Top