Kokab latifan,1,*
1. Cellular and molecular biology, Faculty of Biological Sciences, Parand Islamic Azad University, Iran, Tehran, Email: kokablatifan@gmail.com
Introduction: The NHE6 protein is linked to autism, with mutations in NHE6 leading to a condition called Christian-Sohn syndrome, characterized by unusual facial expressions, involuntary muscle movements, and autistic symptoms(1).
Ashwagandha is a small herb is found in India and Southeast Asia. It is used to improve some pregnancy problems and anxiety(2) and reduce cortisol levels(3).
In this research, the effect of Ashwagandha plant on autism has been investigated.
Methods: In order to check the effect of Ashwagandha on NHE6 protein, we have downloaded the 3D structure of NHE6 from uniport website and the 3D structure of Ashwagandha drug from Pubchem website in SDF format, Then, using ViewerLite software, we have removed the B chain and water molecules, NHE6 protein and saved the file in pdb format.
At the end, the protein is prepared and the drug is entered into the PyRx software and the effect of the drug in the area of
x: -2.0090
y: -3.8832
z: -27.1564 proteins have been investigated
Results: After molecular binding, the result showed that the affinity of the drug to the protein NHE6, RMSD lower bound: 0.0 and RMSD upper limit: 0.0 the binding affinity is (Kcal/mol: -11.3).
Conclusion: The result showed that Ashwagandha medicine is effective on NHE6 protein for autism