TY - JOUR
KW - Ashwagandha
KW - Withania somnifera
KW - Molecular docking
KW - Mycobacterium leprae
KW - sitoindosides
KW - thalidomide.
AU - Thangaraju P
AU - Saraswathy T
AU - Velmurugan H
AU - Venkatesan S
AU - Ty S
AU - Maheshwari P
AU - Sargunam R
AU - Srinivasan A
AU - Thangaraju E
AU - Thangaraju T
AB - <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>

BT - Infectious disorders drug targets
C1 - <p>https://www.ncbi.nlm.nih.gov/pubmed/39757611</p>

DA - 12/2024
DO - 10.2174/0118715265296476241018050329
J2 - Infect Disord Drug Targets
LA - ENG
M3 - Article
N2 - <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>

PY - 2024
T2 - Infectious disorders drug targets
TI - Exploring the Potential Use of Withania somnifera in Leprosy and Lepra Reactions: A Molecular Docking Approach.
SN - 2212-3989
ER -