Exploring Azadirachta indica’s Potential to Combat Visceral Leishmaniasis Through GP63 Inhibition

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This is an unedited manuscript accepted for publication and provided as an Article in Press for early access at the author’s request. The article will undergo copyediting, typesetting, and galley proof review before final publication. Please be aware that errors may be identified during production that could affect the content. All legal disclaimers of the journal apply.

Year : 2024 | Volume :02 | Issue : 02 | Page : –
By
vector

Mohammed Abrar,

  1. Student, Department of Bioinformatics, BioNome, Bengaluru, Karnataka, India

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OBJECTIVES: Millions of people worldwide suffer from the parasite disease visceral leishmaniasis. Determine the naturally occurring active ingredients in Azadirachta indica, which are employed as a disease-prevention agent and have several uses in medicine. To choose the best ligand to use as a medication, absorption, distribution, metabolism, and excretion (ADME) studies and molecular docking are employed.
METHODS: To obtain the GP63 protein, the Protein Data Bank (PDB) database was accessed. The IMPPAT database was utilised to obtain phytocompounds. The pharmacokinetic characteristics of these drugs were evaluated using in silico ADME analysis. PyRx is used for molecular docking.
RESULTS: Molecular docking analysis revealed promising interactions between the selected Azadirachta Indica phytocompound and the GP63 protein, indicating its potential as inhibitor of Leishmania parasite virulence. 6-Deacetylnimbin demonstrated significant binding affinity with GP63, warranting further investigation. Furthermore, the phytocompound exhibited favourable pharmacokinetic properties, suggesting their suitability for drug development.
CONCLUSION: The phytocompound 6-Deacetylnimbin exhibits a promising binding affinity with the GP63 protein, making it a potential therapeutic candidate for the treatment of visceral leishmaniasis.

Keywords: Azadirachta Indica, Visceral Leishmaniasis, GP63, Phytocompound, Molecular Docking, ADMET analysis

[This article belongs to International Journal of Genetic Modifications and Recombinations (ijgmr)]

How to cite this article:
Mohammed Abrar. Exploring Azadirachta indica’s Potential to Combat Visceral Leishmaniasis Through GP63 Inhibition. International Journal of Genetic Modifications and Recombinations. 2024; 02(02):-.
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Mohammed Abrar. Exploring Azadirachta indica’s Potential to Combat Visceral Leishmaniasis Through GP63 Inhibition. International Journal of Genetic Modifications and Recombinations. 2024; 02(02):-. Available from: https://journals.stmjournals.com/ijgmr/article=2024/view=0

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Regular Issue Subscription Original Research
Volume 02
Issue 02
Received 15/05/2024
Accepted 08/11/2024
Published 24/12/2024
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