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Research Journal of Pharmacy and Technology
Year : 2018, Volume : 11, Issue : 2
First page : ( 753) Last page : ( 757)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2018.00141.5

Virtual Screening of Peptidyl Arginine Deiminase Type 4 Inhibiting Potential of Chosen Flavonoids

B. Udhaya Lavinya, Sangeetha N., Manisha P., Ramkumar K., Kavitha M., Sabina Evan Prince*

School of Biosciences and Technology, VIT University, Vellore-632014, Tamilnadu, India

*Corresponding Author E-mail: eps674@gmail.com

Online published on 12 June, 2018.

Abstract

Peptidyl arginine deaminase type 4 (PADI4) has been identified as a potential therapeutic target for rheumatoid arthritis. The aim of current study was to screen 20 chosen flavonoids for PADI4 (PDB Id.: 4X8C) inhibiting potential. The compounds were docked using PatchDock online server for molecular docking. The docked complex was visualized and the interacting patterns were analysed using PyMol software. The results revealed that compounds such as bacopaside II and X, canthaxanthine and broussonol E showed significant interaction with 4X8C with docking scores of 7864, 8432, 7962 and 8544. The study shows binding and interaction patterns of the chosen flavonoids with 4X8C. However, these compounds need to be explored for anti-arthritic activity.

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Keywords

Rheumatoid arthritis, PADI4, flavonoids, docking.

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