01951nas a2200289   4500000000100000008004100001260001200042653001600054653002300070653002200093653002500115653001800140653001700158100001700175700001700192700001700209700001700226700000900243700001700252700001500269700001700284700001700301700001700318245011600335520119600451022001401647       2024                            d  c12/202410aAshwagandha10aWithania somnifera10aMolecular docking10aMycobacterium leprae10asitoindosides10athalidomide.1 aThangaraju P1 aSaraswathy T1 aVelmurugan H1 aVenkatesan S1 aTy S1 aMaheshwari P1 aSargunam R1 aSrinivasan A1 aThangaraju E1 aThangaraju T00aExploring the Potential Use of Withania somnifera in Leprosy and Lepra Reactions: A Molecular Docking Approach.3 a<p><strong>Introduction: </strong>Withania somnifera (Ashwagandha) is a traditional herb that is cur-rently 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.</p>

<p><strong>Methods: </strong>The sitoindosides were used as ligands along with thalidomide in docking against targets, such as M. leprae, TNF-Alpha, and Interleukin-6 in order to determine the potential for inhibitory concentration and docking affinity.</p>

<p><strong>Results: </strong>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 re-ceptors.</p>

<p><strong>Conclusion: </strong>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.</p>
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