Comparing the effect of Tetrabenazine, Deutetrabenazine and haloperidol drugs on huntingtin protein
Comparing the effect of Tetrabenazine, Deutetrabenazine and haloperidol drugs on huntingtin protein
Ali Firouzmand,1,*mandana rezaei,2
1. Department of Biology, Faculty of Science, Bu-Ali Sina University, Hamedan, Iran 2. Department of Biology, Faculty of Science, Bu-Ali Sina University, Hamedan, Iran
Introduction: Huntington's is a hereditary disease that is often inherited and is caused by the huntingtin protein. Huntington's is a brain disease that progresses over time. Although there is no definitive treatment for this disease today, doctors prescribe three drugs Tetrabenazine, Deutetrabenazine and Haloperidol to control the disease and reduce its complications. In this research article, we used the molecular docking method to investigate the interaction between these drugs and huntingtin protein.
Methods: in this research paper, we used molecular docking methods. for this purpose, we downloaded the structures of drugs and protein from uniport and pubchem website
after this, we prepared the protein by making some changes in the chimera program. at the end, we used the pyrx program to dock and analyse the results.
Results: all three drugs have a suitable binding affinity (more negative than 5) and also in at least one of the conformations, they have RMSD lower band and RMSD upper band equal (0.0)
Conclusion: According to docking studies, we found that all three drugs tetrabenazine, deutetrabenazine and haloperidol have a good interaction with huntingtin protein.
Although, according to the numbers, Haloperidol drug has obtained a better result of docking with huntingtin protein compared to the other two drugs due to its very suitable binding affinity in conformation 1 .