A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis

Year : 2023 | Volume : 01 | Issue : 02 | Page : 49-61
By

    Prateeksha Vijayakumar

  1. Samiksha Bhor

  1. Student, Department of Life Sciences, Garden City University, Karnataka, India
  2. Bioinformatics Associate, Department of Bioinformatics, Bionome Benglore, Karnataka, India

Abstract

Objective: Psoriasis is a chronic, non-contagious, auto-immune skin disorder that causes inflammation, pain, and itching in the affected areas. The etiology of this condition is not entirely understood, and while there are treatments available to manage the symptoms, there is currently no cure. The Transient receptor potential cation channel, subfamily Vanillin, member 3 (TRPV3), present in keratinocytes, allegedly had a part in the development of psoriasis-related pain and itching. Specifically, this report’s main goal was to identify a potential antagonist (an anti-pruritic medication) that could desensitize TRPV3, by blocking its activity and reducing these symptoms. Methods: An in-silico approach was carried out by docking the chosen twelve phytocompounds based on the recent pre-clinical studies, with the TRPV3 target using Auto dock 4.2 after optimizing the crystal structure of the protein and preparation of ligands. Bio via discovery studio was used to visualize the 3D and 2D interactions and draw a conclusion from the results obtained. Results: Almost all compounds showed good binding energy values, but Hypericin, Kaempferol, Quercetin, and Emodin showed stronger binding affinities and proved to be efficient antagonists against TRPV3. Conclusion: Further clinical studies and improvements are needed in the near future to confirm these natural compounds as useful antipruritic
agents in the treatment of psoriasis.

Keywords: Psoriasis vulgaris, Phytocompounds, Molecular docking, Autodocking, ADME analysis, pruritis, anti-psoriatic drug, Phytochemicals, Keratinocytes, TRPV3, Virtual screening, Pharmacokinetic profiling

[This article belongs to International Journal of Bioinformatics and Computational Biology(ijbcb)]

How to cite this article: Prateeksha Vijayakumar, Samiksha Bhor A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis ijbcb 2023; 01:49-61
How to cite this URL: Prateeksha Vijayakumar, Samiksha Bhor A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis ijbcb 2023 {cited 2023 Aug 05};01:49-61. Available from: https://journals.stmjournals.com/ijbcb/article=2023/view=114935

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Regular Issue Subscription Original Research
Volume 01
Issue 02
Received May 12, 2023
Accepted July 25, 2023
Published August 5, 2023