مقالات پذیرفته شده در ششمین کنگره بین المللی زیست پزشکی
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.