Molecular Docking of the Protein Kinase c gamma, A newtarget for spinocerebellar ataxia type ۱۴, with dopamine likeagonist compounds
Publish Year: 1401
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
BCSCD01_024
تاریخ نمایه سازی: 4 فروردین 1402
Abstract:
Spinocerebellar ataxia type ۱۴ (SCA۱۴) is characterized by slowly progressive cerebellar ataxia, dysarthria,Axial myoclonus, cognitive impairment, tremor, and sensory loss may also be observed. The average age ofonset is in the ۳۰s, with a range from childhood to the seventh decade. Life span is not shortened. mutations inPRKCG (encoding PKCγ) may occur in SCA۱۴. This study developed to predict ۱۲ dopamine like compoundsagonists (DA) have binding affinity to protein kinase C gamma (PKCγ). PKCγ has three chains. PockDrugserver and chimera software were used to determine the suitable chain for docking. Docking calculations wereperformed with autodock vina wizard in PyRx ۰.۸ software. Docking results showed that the Adaprin,Menbutone and Benzoyl benzoate were obtained as the best compound in the binding to the binding site of theprotein. Also, the results show that the dominant force in the interaction of these ligands with the PRKCG ishydrophobic forces
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Authors
Negin Shamani
Department of Biology, Mashhad Branch, Islamic Azad University, Mashhad, Iran
Mohammad Reza Bozorgmehr
Department of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran