MOLECULAR DOCKING OF NIGELLA SATIVA PHYTOCOMPOUND AS INHIBITORS OF TRANSCRIPTION FACTORS NF-đťš±B IMPLICATED IN RHEUMATOID ARTHRITIS

Year : 2024 | Volume :02 | Issue : 02 | Page : –
By
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Amaani .,

  1. Student, Department of Bioinformatics, BioNome, Bengluru, India

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Objectives: Nigella sativa, a plant considered around the world as the most treasured nutrient rich herb for centuries together in different civilizations exceptionally for its high levels of antioxidant properties.Free radicals intensification due to oxidative stress plays a key role in the pathogenesis of Rheumatoid Arthritis by activating the NF-KB Protein that regulates the expression of the genes involved in inflammation. Methods:This study involves In Silico approach to validate the antioxidant properties of the phytocompounds obtained from Nigella sativa in inhibiting the protein activity of NF-KB by contemplating the binding affinity of the phytochemicals with the target macromolecule virtually by Molecular Docking(PyRx). Results: Phytochemical compounds that surpassed the ADME test were screened based on the binding affinity against the Protein.Ligands showing values less than -6 kcal/mol were further visualized and the computation results manifested phytocompound Nigellone (Dithymoquinone) had the strongest binding affinity against the protein NF-KB recommending the compound for future therapeutic interventions in the treatment of RA.

Keywords: Nigella sativa, Nigellone, NF-KB, Free Radicals, Oxidative stress, Rheumatoid Arthritis.

[This article belongs to International Journal of Molecular Biotechnological Research (ijmbr)]

How to cite this article:
Amaani .. MOLECULAR DOCKING OF NIGELLA SATIVA PHYTOCOMPOUND AS INHIBITORS OF TRANSCRIPTION FACTORS NF-đťš±B IMPLICATED IN RHEUMATOID ARTHRITIS. International Journal of Molecular Biotechnological Research. 2024; 02(02):-.
How to cite this URL:
Amaani .. MOLECULAR DOCKING OF NIGELLA SATIVA PHYTOCOMPOUND AS INHIBITORS OF TRANSCRIPTION FACTORS NF-đťš±B IMPLICATED IN RHEUMATOID ARTHRITIS. International Journal of Molecular Biotechnological Research. 2024; 02(02):-. Available from: https://journals.stmjournals.com/ijmbr/article=2024/view=0

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Regular Issue Subscription Original Research
Volume 02
Issue 02
Received 30/08/2024
Accepted 28/10/2024
Published 18/11/2024
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