study of the effect of levodopa on BPAN protein using molecular docking method
study of the effect of levodopa on BPAN protein using molecular docking method
Ali Firouzmand,1,*
1. Department of Biology, Faculty of Science, Bu-Ali Sina University, Hamedan, Iran
Introduction: levodopa remains the gold standard for the treatment of Parkinson disease. However, some doctors prescribe this drug for NBIA disease.
In this descriptive-analytical study, we investigate levodopa and its effect on Beta-propeller Protein-associated Neurodegeneration using molecular docking method.
Methods: we used molecular docking method, which is both faster and cheaper compared to laboratory methods.
Also from the software ViewerLite, AutoDockTools-1.5.6, Chimera 1.15 and PyRx were used.
Results: conformation1 of levodopa has negative binding affinity(-4/9kcal/mol) and RMSD is zero
Conclusion: According to Docking studies, we found that none of the conformations can be effective in affecting the BPAN, because their binding affinity is more than what we expected (more than -5kcal/mol), despite of suitable RMSD lower bound and RMSD upper bound.