@article{101740,
  keywords = {Ashwagandha, Withania somnifera, Molecular docking, Mycobacterium leprae, sitoindosides, thalidomide.},
  author = {Thangaraju P and Saraswathy T and Velmurugan H and Venkatesan S and Ty S and Maheshwari P and Sargunam R and Srinivasan A and Thangaraju E and Thangaraju T},
  title = {Exploring the Potential Use of Withania somnifera in Leprosy and Lepra Reactions: A Molecular Docking Approach.},
  abstract = {<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>
},
  year = {2024},
  journal = {Infectious disorders drug targets},
  month = {12/2024},
  issn = {2212-3989},
  doi = {10.2174/0118715265296476241018050329},
  language = {ENG},
}