02046nas a2200301   4500000000100000008004100001260004200042653002300084653001600107653002200123653003100145653001800176653001600194100001700210700001700227700001700244700001700261700001000278700001700288700001600305700001700321700001700338700001700355245011500372490000700487520123600494022001401730       2025                            d  c2025bBentham Science Publishers Ltd.10aWithania somnifera10aAshwagandha10aMolecular docking10aMycobacterium lepraemurium10asitoindosides10aThalidomide1 aThangaraju P1 aSaraswathy T1 aVelmurugan H1 aVenkatesan S1 aTY SS1 aMaheshwari P1 aSargunam RR1 aSrinivasan A1 aThangaraju E1 aThangaraju T00aExploring the Potential Use of Withania somnifera in Leprosy and Lepra Reactions: A Molecular Docking Approach0 v253 a<p><strong>Introduction:</strong></p>

<p>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></p>

<p>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></p>

<p>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></p>

<p>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>
  a1871-5265