Cerium oxide nanoparticles modulating the Parkinson's disease conditions: From the alpha synuclein structural point of view and antioxidant properties of cerium oxide nanoparticles
Xiaomei Yao, Yichao Guan, Jianli Wang, Dong Wang
Abstract
Parkinson's and Alzheimer's disease is the main cause of dementia, which is associated with the progressive deterioration of the intelligence and senses. Free radicals are created during oxidative stress in cells, which are considered one of the destructive factors in neurodegenerative diseases. In this study, the antifibrillar and antioxidant properties of cerium oxide nanoparticles (CeO 2 NPs) were investigated experimentally and theoretically. The CeO 2 NPs were synthesized and analyzed to reveal the physicochemical and biological properties. The results showed that the CeO 2 NPs have unique properties with potent antioxidant activities. The experimental and computational studies showed that the CeO 2 NPs interact with the active site of Alpha-synuclein. The existence of hydrogen bonding between O atoms of CeO 2 NPs and N–H of adjacent acid amines and the equilibrium distances were confirmed by 1.751 (Leu100), 1.786 (Gln99) and 2.213 Å (Lys97). The minimum free energy binding of L-DOPA drug (as positive control) and CeO 2 NPs were negative, resulting interaction between compounds and protein. As a result, these compounds inhibited Alpha-synuclein protein aggregation. In addition, that CeO 2 NPs strongly binds with receptor by relative binding energy as compared with L-DOPA drug. These findings revealed that CeO 2 NPs prevent Alpha-synuclein fibrillation and can be applied as nano-drug against the Parkinson's disease.