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image of Exploring the Potential Use of Withania somnifera in Leprosy and Lepra Reactions: A Molecular Docking Approach

Abstract

Introduction

(Ashwagandha) is a traditional herb that is currently commercially available for treating a variety of illnesses. By evaluating and verifying docking affinity scores, it is possible to explore the potential of the plant for treating leprosy and lepra-reaction as off-label use.

Methods

The sitoindosides were used as ligands along with thalidomide in docking against targets, such as , TNF-Alpha, and Interleukin-6 in order to determine the potential for inhibitory concentration and docking affinity.

Results

According to the study, good binding energy values varied from -7 to -11 Kcal/mol. Sitoindoside IX had the highest binding affinity and important binding interactions, such as hydrogen bonding, when compared to Thalidomide and Sitoindoside X against all three receptors.

Conclusion

The present study confirmed that the Sitoindoside IX and X are a better fit for treating patients with leprosy. These findings are highly intriguing and suggest that this herb should be investigated further to validate these findings in leprosy.

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2024-12-30
2025-01-19

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/content/journals/iddt/10.2174/0118715265296476241018050329
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Exploring the Potential Use of Withania somnifera in Leprosy and Lepra Reactions: A Molecular Docking Approach
Bentham Science Publishers ; https://doi.org/10.2174/0118715265296476241018050329
/content/journals/iddt/10.2174/0118715265296476241018050329
/content/journals/iddt/10.2174/0118715265296476241018050329
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  • Article Type:     Research Article
Keywords: Withania somnifera ; mycobacterium leprae ; thalidomide ; molecular docking ; Ashwagandha ; sitoindosides

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