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Rep\u00fablica Dominicana","award":["31"],"award-info":[{"award-number":["31"]}]},{"name":"Fondo Nacional de Ciencia, Tecnolog\u00eda del Ministerio de Educaci\u00f3n Superior Ciencia y Tecnolog\u00eda. Rep\u00fablica Dominicana","award":["319433"],"award-info":[{"award-number":["319433"]}]},{"name":"Fondo Nacional de Ciencia, Tecnolog\u00eda del Ministerio de Educaci\u00f3n Superior Ciencia y Tecnolog\u00eda. Rep\u00fablica Dominicana","award":["319578"],"award-info":[{"award-number":["319578"]}]},{"name":"Fondo Nacional de Ciencia, Tecnolog\u00eda del Ministerio de Educaci\u00f3n Superior Ciencia y Tecnolog\u00eda. Rep\u00fablica Dominicana","award":["2018-2019-2A3-208"],"award-info":[{"award-number":["2018-2019-2A3-208"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>The \u03b1-synucleinopathies constitute a subset of neurodegenerative disorders, of which Parkinson\u2019s disease (PD) is the most common worldwide, characterized by the accumulation of misfolded \u03b1-synuclein in the cytoplasm of neurons, which spreads in a prion-like manner to anatomically interconnected brain areas. However, it is not clear how \u03b1-synucleinopathy triggers neurodegeneration. We recently developed a rat model through a single intranigral administration of the neurotoxic \u03b2-sitosterol \u03b2-D-glucoside (BSSG), which produces \u03b1-synucleinopathy. In this model, we aimed to evaluate the temporal pattern of levels in oxidative and nitrosative stress and mitochondrial complex I (CI) dysfunction and how these biochemical parameters are associated with neurodegeneration in different brain areas with \u03b1-synucleinopathy (Substantia nigra pars compacta, the striatum, in the hippocampus and the olfactory bulb, where \u03b1-syn aggregation spreads). Interestingly, an increase in oxidative stress and mitochondrial CI dysfunction accompanied neurodegeneration in those brain regions. Furthermore, in silico analysis suggests a high-affinity binding site for BSSG with peroxisome proliferator-activated receptors (PPAR) alpha (PPAR-\u03b1) and gamma (PPAR-\u03b3). These findings will contribute to elucidating the pathophysiological mechanisms associated with \u03b1-synucleinopathies and lead to the identification of new early biomarkers and therapeutic targets.<\/jats:p>","DOI":"10.3390\/ijms231911394","type":"journal-article","created":{"date-parts":[[2022,9,27]],"date-time":"2022-09-27T23:12:12Z","timestamp":1664320332000},"page":"11394","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":43,"title":["Oxidative Stress and Mitochondrial Complex I Dysfunction Correlate with Neurodegeneration in an \u03b1-Synucleinopathy Animal Model"],"prefix":"10.3390","volume":"23","author":[{"given":"Adriana","family":"Morales-Mart\u00ednez","sequence":"first","affiliation":[{"name":"Laboratorio de Neurofarmacolog\u00eda Molecular y Nanotecnolog\u00eda, Instituto Nacional de Neurolog\u00eda y Neurocirug\u00eda Manuel Velasco Su\u00e1rez, Mexico City 14269, Mexico"},{"name":"Laboratorio de Patogenesis Molecular, Laboratorio 4, Edificio A4, Carrera M\u00e9dico Cirujano, Facultad de Estudios Superiores Iztacala, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Tlalnepantla 54090, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8786-2911","authenticated-orcid":false,"given":"Paola A.","family":"Mart\u00ednez-G\u00f3mez","sequence":"additional","affiliation":[{"name":"Laboratorio de Patogenesis Molecular, Laboratorio 4, Edificio A4, Carrera M\u00e9dico Cirujano, Facultad de Estudios Superiores Iztacala, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Tlalnepantla 54090, Mexico"},{"name":"Secci\u00f3n de Estudios de Posgrado e Investigaci\u00f3n, Escuela Superior de Medicina, Instituto Polit\u00e9cnico Nacional, Mexico City 11340, Mexico"},{"name":"Red de Medicina para la Educaci\u00f3n y Desarrollo y la Investigaci\u00f3n Cient\u00edfica de Iztacala (Red MEDICI), Carrera M\u00e9dico Cirujano, Facultad de Estudios 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J. Neurol."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"2055","DOI":"10.1016\/S0140-6736(09)60492-X","article-title":"Parkinson\u2019s disease","volume":"373","author":"Lees","year":"2009","journal-title":"Lancet"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/S0197-4580(02)00065-9","article-title":"Staging of brain pathology related to sporadic Parkinson\u2019s disease","volume":"24","author":"Braak","year":"2003","journal-title":"Neurobiol. Aging"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1186\/s40478-020-00933-6","article-title":"Unilateral intranigral administration of beta-sitosterol beta-D-glucoside triggers pathological alpha-synuclein spreading and bilateral nigrostriatal dopaminergic neurodegeneration in the rat","volume":"8","author":"Flores","year":"2020","journal-title":"Acta Neuropathol. Commun."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"3631","DOI":"10.1111\/febs.14587","article-title":"Crucial role of protein oligomerization in the pathogenesis of Alzheimer\u2019s and Parkinson\u2019s diseases","volume":"285","author":"Choi","year":"2018","journal-title":"FEBS J."},{"key":"ref_6","first-page":"489","article-title":"Multi-Organ Distribution of Alpha-Synuclein Pathology in Dementia with Lewy Bodies","volume":"70","author":"Wakabayashi","year":"2018","journal-title":"Brain Nerve"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"689","DOI":"10.1007\/s00401-010-0664-3","article-title":"Multi-organ distribution of phosphorylated alpha-synuclein histopathology in subjects with Lewy body disorders","volume":"119","author":"Beach","year":"2010","journal-title":"Acta Neuropathol."},{"key":"ref_8","first-page":"1","article-title":"Neuroanatomy and pathology of sporadic Parkinson\u2019s disease","volume":"201","author":"Braak","year":"2009","journal-title":"Adv. Anat. Embryol. Cell Biol."},{"key":"ref_9","doi-asserted-by":"crossref","unstructured":"Bras, I.C., and Outeiro, T.F. (2021). Alpha-Synuclein: Mechanisms of Release and Pathology Progression in Synucleinopathies. Cells, 10.","DOI":"10.3390\/cells10020375"},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"S51","DOI":"10.3233\/JPD-179005","article-title":"The Synucleinopathies: Twenty Years On","volume":"7","author":"Goedert","year":"2017","journal-title":"J. Parkinsons Dis."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1038\/42166","article-title":"Alpha-synuclein in Lewy bodies","volume":"388","author":"Spillantini","year":"1997","journal-title":"Nature"},{"key":"ref_12","doi-asserted-by":"crossref","unstructured":"Rizor, A., Pajarillo, E., Johnson, J., Aschner, M., and Lee, E. (2019). Astrocytic Oxidative\/Nitrosative Stress Contributes to Parkinson\u2019s Disease Pathogenesis: The Dual Role of Reactive Astrocytes. Antioxidants, 8.","DOI":"10.3390\/antiox8080265"},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"1122","DOI":"10.1038\/s41419-018-1154-0","article-title":"Defective mitochondrial protein import contributes to complex I-induced mitochondrial dysfunction and neurodegeneration in Parkinson\u2019s disease","volume":"9","author":"Cuadros","year":"2018","journal-title":"Cell Death Dis."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"1793","DOI":"10.1007\/s10072-016-2663-1","article-title":"Oxidative and nitrosative stress in serum of patients with Parkinson\u2019s disease","volume":"37","author":"Cubukcu","year":"2016","journal-title":"Neurol. Sci."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1111\/jnc.12226","article-title":"Oxidative and nitrative alpha-synuclein modifications and proteostatic stress: Implications for disease mechanisms and interventions in synucleinopathies","volume":"125","author":"Schildknecht","year":"2013","journal-title":"J. Neurochem."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"985","DOI":"10.1126\/science.290.5493.985","article-title":"Oxidative damage linked to neurodegeneration by selective alpha-synuclein nitration in synucleinopathy lesions","volume":"290","author":"Giasson","year":"2000","journal-title":"Science"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"461","DOI":"10.3233\/JPD-130230","article-title":"The role of oxidative stress in Parkinson\u2019s disease","volume":"3","author":"Dias","year":"2013","journal-title":"J. Parkinsons Dis."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1016\/j.bbabio.2004.03.016","article-title":"Inhibition of mitochondrial respiratory complex I by nitric oxide, peroxynitrite and S-nitrosothiols","volume":"1658","author":"Brown","year":"2004","journal-title":"Biochim. Biophys. Acta"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1006\/abbi.1996.0178","article-title":"Differential inhibitory action of nitric oxide and peroxynitrite on mitochondrial electron transport","volume":"328","author":"Cassina","year":"1996","journal-title":"Arch. Biochem. Biophys."},{"key":"ref_20","doi-asserted-by":"crossref","unstructured":"Chang, K.H., and Chen, C.M. (2020). The Role of Oxidative Stress in Parkinson\u2019s Disease. Antioxidants, 9.","DOI":"10.3390\/antiox9070597"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"1423","DOI":"10.1016\/S0002-9440(10)65396-5","article-title":"Parkinson\u2019s disease is associated with oxidative damage to cytoplasmic DNA and RNA in substantia nigra neurons","volume":"154","author":"Zhang","year":"1999","journal-title":"Am. J. Pathol."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"700","DOI":"10.1038\/s41419-018-0722-7","article-title":"Phosphorylation of Parkin at serine 131 by p38 MAPK promotes mitochondrial dysfunction and neuronal death in mutant A53T alpha-synuclein model of Parkinson\u2019s disease","volume":"9","author":"Chen","year":"2018","journal-title":"Cell Death Dis."},{"key":"ref_23","first-page":"342ra78","article-title":"alpha-Synuclein binds to TOM20 and inhibits mitochondrial protein import in Parkinson\u2019s disease","volume":"8","author":"Barrett","year":"2016","journal-title":"Sci. Transl. Med."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1016\/j.nbd.2017.04.004","article-title":"Alpha-synuclein: Pathology, mitochondrial dysfunction and neuroinflammation in Parkinson\u2019s disease","volume":"109 Pt B","author":"Rocha","year":"2018","journal-title":"Neurobiol. Dis."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/j.pneurobio.2013.04.004","article-title":"Mitochondrial dysfunction and oxidative stress in Parkinson\u2019s disease","volume":"106\u2013107","author":"Subramaniam","year":"2013","journal-title":"Prog. Neurobiol."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1016\/j.neulet.2010.09.061","article-title":"Mitochondrial alpha-synuclein accumulation impairs complex I function in dopaminergic neurons and results in increased mitophagy in vivo","volume":"486","author":"Chinta","year":"2010","journal-title":"Neurosci. Lett."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/j.neulet.2008.05.005","article-title":"Mitochondrial localization of alpha-synuclein protein in alpha-synuclein overexpressing cells","volume":"439","author":"Shavali","year":"2008","journal-title":"Neurosci. Lett."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"1317","DOI":"10.1038\/aps.2017.49","article-title":"Reassessment of subacute MPTP-treated mice as animal model of Parkinson\u2019s disease","volume":"38","author":"Zhang","year":"2017","journal-title":"Acta Pharmacol. Sin."},{"key":"ref_29","first-page":"533","article-title":"The 6-hydroxydopamine model and parkinsonian pathophysiology: Novel findings in an older model","volume":"32","year":"2017","journal-title":"Neurologia"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1016\/S0301-0082(01)00003-X","article-title":"Molecular pathways involved in the neurotoxicity of 6-OHDA, dopamine and MPTP: Contribution to the apoptotic theory in Parkinson\u2019s disease","volume":"65","author":"Blum","year":"2001","journal-title":"Prog. Neurobiol."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1007\/s13167-017-0114-6","article-title":"The BSSG rat model of Parkinson\u2019s disease: Progressing towards a valid, predictive model of disease","volume":"8","author":"Robertson","year":"2017","journal-title":"EPMA J."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"S8","DOI":"10.1038\/466S8a","article-title":"Parkinson\u2019s disease: A model dilemma","volume":"466","author":"Beal","year":"2010","journal-title":"Nature"},{"key":"ref_33","doi-asserted-by":"crossref","unstructured":"Oaks, A.W., Frankfurt, M., Finkelstein, D.I., and Sidhu, A. (2013). Age-dependent effects of A53T alpha-synuclein on behavior and dopaminergic function. PLoS ONE, 8.","DOI":"10.1371\/journal.pone.0060378"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1016\/S0896-6273(02)00682-7","article-title":"Neuronal alpha-synucleinopathy with severe movement disorder in mice expressing A53T human alpha-synuclein","volume":"34","author":"Giasson","year":"2002","journal-title":"Neuron"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"163ra156","DOI":"10.1126\/scitranslmed.3004676","article-title":"alpha-Synuclein-induced down-regulation of Nurr1 disrupts GDNF signaling in nigral dopamine neurons","volume":"4","author":"Decressac","year":"2012","journal-title":"Sci. Transl. Med."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1186\/1750-1326-5-43","article-title":"Expression of human A53T alpha-synuclein in the rat substantia nigra using a novel AAV1\/2 vector produces a rapidly evolving pathology with protein aggregation, dystrophic neurite architecture and nigrostriatal degeneration with potential to model the pathology of Parkinson\u2019s disease","volume":"5","author":"Koprich","year":"2010","journal-title":"Mol. Neurodegener."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"10813","DOI":"10.1073\/pnas.152339799","article-title":"alpha-Synucleinopathy and selective dopaminergic neuron loss in a rat lentiviral-based model of Parkinson\u2019s disease","volume":"99","author":"Ridet","year":"2002","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"2780","DOI":"10.1523\/JNEUROSCI.22-07-02780.2002","article-title":"Parkinson-like neurodegeneration induced by targeted overexpression of alpha-synuclein in the nigrostriatal system","volume":"22","author":"Kirik","year":"2002","journal-title":"J. Neurosci."},{"key":"ref_39","first-page":"5907591","article-title":"Intranigral Administration of beta-Sitosterol-beta-D-Glucoside Elicits Neurotoxic A1 Astrocyte Reactivity and Chronic Neuroinflammation in the Rat Substantia Nigra","volume":"2020","year":"2020","journal-title":"J. Immunol. Res."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"112279","DOI":"10.1016\/j.bbr.2019.112279","article-title":"A single intranigral administration of beta-sitosterol beta-d-glucoside elicits bilateral sensorimotor and non-motor alterations in the rat","volume":"378","year":"2020","journal-title":"Behav. Brain Res."},{"key":"ref_41","doi-asserted-by":"crossref","unstructured":"Van Kampen, J.M., Baranowski, D.C., Robertson, H.A., Shaw, C.A., and Kay, D.G. (2015). The Progressive BSSG Rat Model of Parkinson\u2019s: Recapitulating Multiple Key Features of the Human Disease. PLoS ONE, 10.","DOI":"10.1371\/journal.pone.0139694"},{"key":"ref_42","unstructured":"Adejare, A. (2021). Chapter 6\u2014Pharmaceutical chemistry. Remington, Elsevier. [23rd ed.]."},{"key":"ref_43","doi-asserted-by":"crossref","unstructured":"Mcree, D.E. (1999). Chapter 3\u2014Computational Techniques. Practical Protein Crystallography, Elsevier. [2nd ed.].","DOI":"10.1016\/B978-012486052-0\/50005-1"},{"key":"ref_44","unstructured":"Wermuth, C.G., Aldous, S., Raboisson, P., and Rognan, D. (2008). Chapter 14\u2014The Role of Functional Groups in Drug\u2013Receptor Interactions. The Practice of Medicinal Chemistry, Elsevier. [4th ed.]."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"14017","DOI":"10.1021\/ja2045293","article-title":"Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the \u201chydrophobic wall\u201d of carbonic anhydrase","volume":"133","author":"Mecinovic","year":"2011","journal-title":"J. Am. Chem. Soc."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1016\/S1734-1140(13)71005-3","article-title":"Oxidative stress, polyunsaturated fatty acids-derived oxidation products and bisretinoids as potential inducers of CNS diseases: Focus on age-related macular degeneration","volume":"65","author":"Nowak","year":"2013","journal-title":"Pharmacol. Rep."},{"key":"ref_47","first-page":"S72","article-title":"Effect of melatonin administration on cyclooxygenase-2 activity, serum levels of nitric oxide metabolites, lipoperoxides and glutathione peroxidase activity in patients with Parkinson\u2019s disease","volume":"153","author":"Ortiz","year":"2017","journal-title":"Gac. Med. Mex."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"391","DOI":"10.1134\/S1819712419040020","article-title":"Lipid Peroxidation Products in the Blood Plasma of Patients with Parkinson\u2019s Disease as Possible Biomarkers of Different Stages of the Disease","volume":"13","author":"Fedorova","year":"2019","journal-title":"Neurochem. J."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"659584","DOI":"10.3389\/fphar.2021.659584","article-title":"Ferroptosis as a New Mechanism in Parkinson\u2019s Disease Therapy Using Traditional Chinese Medicine","volume":"12","author":"Wu","year":"2021","journal-title":"Front. Pharmacol."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"2781","DOI":"10.1038\/s41418-020-0542-z","article-title":"Alpha synuclein aggregation drives ferroptosis: An interplay of iron, calcium and lipid peroxidation","volume":"27","author":"Angelova","year":"2020","journal-title":"Cell Death Differ."},{"key":"ref_51","first-page":"127","article-title":"Synergistic versus antagonistic actions of glutamate and glutathione: The role of excitotoxicity and oxidative stress in neuronal disease","volume":"48","author":"Shaw","year":"2002","journal-title":"Cell. Mol. Biol."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"871","DOI":"10.1139\/y99-097","article-title":"Methionine sulfoximine shows excitotoxic actions in rat cortical slices","volume":"77","author":"Shaw","year":"1999","journal-title":"Can. J. Physiol. Pharmacol."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1385\/NMM:1:3:207","article-title":"Behavioral and neurological correlates of ALS-parkinsonism dementia complex in adult mice fed washed cycad flour","volume":"1","author":"Wilson","year":"2002","journal-title":"Neuromolecular Med."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"e13031","DOI":"10.1111\/acel.13031","article-title":"Oxidative stress in the aging substantia nigra and the etiology of Parkinson\u2019s disease","volume":"18","author":"Trist","year":"2019","journal-title":"Aging Cell"},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"103","DOI":"10.5607\/en.2015.24.2.103","article-title":"Mitochondrial Dysfunction in Parkinson\u2019s Disease","volume":"24","author":"Moon","year":"2015","journal-title":"Exp. Neurobiol."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1038\/s41531-018-0044-6","article-title":"Mitochondrial dysfunction within the synapses of substantia nigra neurons in Parkinson\u2019s disease","volume":"4","author":"Reeve","year":"2018","journal-title":"NPJ Park. Dis."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"S156","DOI":"10.1016\/S1353-8020(09)70805-3","article-title":"Striatal spine plasticity in Parkinson\u2019s disease: Pathological or not?","volume":"15","author":"Smith","year":"2009","journal-title":"Parkinsonism Relat. Disord"},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"S251","DOI":"10.1016\/S1353-8020(08)70012-9","article-title":"Striatal plasticity and medium spiny neuron dendritic remodeling in parkinsonism","volume":"13","author":"Deutch","year":"2007","journal-title":"Park. Relat. Disord"},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1016\/j.cortex.2018.11.021","article-title":"Episodic recognition memory and the hippocampus in Parkinson\u2019s disease: A review","volume":"113","author":"Das","year":"2019","journal-title":"Cortex"},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"1485","DOI":"10.1007\/s00018-016-2411-y","article-title":"Synucleinopathies: Common features and hippocampal manifestations","volume":"74","author":"Yang","year":"2017","journal-title":"Cell Mol. Life Sci."},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1007\/s00401-015-1451-y","article-title":"A new dopaminergic nigro-olfactory projection","volume":"130","author":"Hoglinger","year":"2015","journal-title":"Acta Neuropathol."},{"key":"ref_62","first-page":"1","article-title":"Imaging of intranasal drug delivery to the brain","volume":"10","author":"Veronesi","year":"2020","journal-title":"Am. J. Nucl. Med. Mol. Imaging"},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"2475","DOI":"10.1007\/s11095-012-0915-1","article-title":"Intranasal treatment of central nervous system dysfunction in humans","volume":"30","author":"Chapman","year":"2013","journal-title":"Pharm. Res."},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"107705","DOI":"10.1016\/j.pharmthera.2020.107705","article-title":"PPARgamma\/PGC1alpha signaling as a potential therapeutic target for mitochondrial biogenesis in neurodegenerative disorders","volume":"219","author":"Jamwal","year":"2021","journal-title":"Pharmacol. Ther."},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"972","DOI":"10.1007\/s11064-020-02993-5","article-title":"The Novel Role of PPAR Alpha in the Brain: Promising Target in Therapy of Alzheimer\u2019s Disease and Other Neurodegenerative Disorders","volume":"45","author":"Wojtowicz","year":"2020","journal-title":"Neurochem. Res."},{"key":"ref_66","doi-asserted-by":"crossref","first-page":"2973","DOI":"10.3390\/ijms19102973","article-title":"Role of Mitogen Activated Protein Kinase Signaling in Parkinson\u2019s Disease","volume":"19","author":"Bohush","year":"2018","journal-title":"Int. J. Mol. Sci."},{"key":"ref_67","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1186\/1750-1326-8-7","article-title":"HDAC6 as a target for neurodegenerative diseases: What makes it different from the other HDACs?","volume":"8","author":"Zwick","year":"2013","journal-title":"Mol. Neurodegener."},{"key":"ref_68","doi-asserted-by":"crossref","unstructured":"Hong, F., Pan, S., Guo, Y., Xu, P., and Zhai, Y. (2019). PPARs as Nuclear Receptors for Nutrient and Energy Metabolism. Molecules, 24.","DOI":"10.3390\/molecules24142545"},{"key":"ref_69","doi-asserted-by":"crossref","first-page":"418765","DOI":"10.1155\/2008\/418765","article-title":"Peroxisome Proliferator-Activated Receptor-gamma in Amyotrophic Lateral Sclerosis and Huntington\u2019s Disease","volume":"2008","author":"Kiaei","year":"2008","journal-title":"PPAR Res."},{"key":"ref_70","doi-asserted-by":"crossref","unstructured":"Sharma, A., and Lee, H.J. (2021). Role of Phytoconstituents as PPAR Agonists: Implications for Neurodegenerative Disorders. Biomedicines, 9.","DOI":"10.3390\/biomedicines9121914"},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"104814","DOI":"10.1016\/j.neuint.2020.104814","article-title":"Minutes of PPAR-gamma agonism and neuroprotection","volume":"140","author":"Kumar","year":"2020","journal-title":"Neurochem. Int."},{"key":"ref_72","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/1028415X.2019.1584692","article-title":"Rich fatty acids diet of fish and olive oils modifies membrane properties in striatal rat synaptosomes","volume":"24","author":"Montes","year":"2021","journal-title":"Nutr. Neurosci."},{"key":"ref_73","first-page":"1838921","article-title":"Acute Neuroinflammatory Response in the Substantia Nigra Pars Compacta of Rats after a Local Injection of Lipopolysaccharide","volume":"2018","year":"2018","journal-title":"J. Immunol. Res."},{"key":"ref_74","doi-asserted-by":"crossref","first-page":"234","DOI":"10.1016\/S0006-8993(00)02082-5","article-title":"Striatal oxidative damage parallels the expression of a neurological phenotype in mice transgenic for the mutation of Huntington\u2019s disease","volume":"862","author":"Rios","year":"2000","journal-title":"Brain Res."},{"key":"ref_75","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1016\/j.freeradbiomed.2018.11.005","article-title":"Protective effects of N-acetyl-cysteine in mitochondria bioenergetics, oxidative stress, dynamics and S-glutathionylation alterations in acute kidney damage induced by folic acid","volume":"130","author":"Tapia","year":"2019","journal-title":"Free Radic. Biol. Med."},{"key":"ref_76","doi-asserted-by":"crossref","first-page":"1246","DOI":"10.1038\/s41467-020-15032-2","article-title":"Olfactory memory representations are stored in the anterior olfactory nucleus","volume":"11","author":"Aqrabawi","year":"2020","journal-title":"Nat. Commun."},{"key":"ref_77","doi-asserted-by":"crossref","first-page":"W357","DOI":"10.1093\/nar\/gkz382","article-title":"SwissTargetPrediction: Updated data and new features for efficient prediction of protein targets of small molecules","volume":"47","author":"Daina","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"ref_78","doi-asserted-by":"crossref","first-page":"3073","DOI":"10.1093\/bioinformatics\/btt540","article-title":"Shaping the interaction landscape of bioactive molecules","volume":"29","author":"Gfeller","year":"2013","journal-title":"Bioinformatics"},{"key":"ref_79","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1186\/1758-2946-4-17","article-title":"Avogadro: An advanced semantic chemical editor, visualization, and analysis platform","volume":"4","author":"Hanwell","year":"2012","journal-title":"J. Cheminform."},{"key":"ref_80","doi-asserted-by":"crossref","unstructured":"Wang, Y., Wang, Q., Huang, H., Huang, W., Chen, Y., McGarvey, P.B., Wu, C.H., Arighi, C.N., and UniProt, C. (2021). A crowdsourcing open platform for literature curation in UniProt. PLoS Biol., 19.","DOI":"10.1371\/journal.pbio.3001464"},{"key":"ref_81","doi-asserted-by":"crossref","first-page":"871","DOI":"10.1126\/science.abj8754","article-title":"Accurate prediction of protein structures and interactions using a three-track neural network","volume":"373","author":"Baek","year":"2021","journal-title":"Science"},{"key":"ref_82","doi-asserted-by":"crossref","first-page":"1735","DOI":"10.1016\/j.str.2013.08.005","article-title":"High-resolution comparative modeling with RosettaCM","volume":"21","author":"Song","year":"2013","journal-title":"Structure"},{"key":"ref_83","unstructured":"Schr\u00f6dinger, L., and DeLano, W. (2022, May 11). PyMOL. Available online: http:\/\/www.pymol.org\/pymol."},{"key":"ref_84","doi-asserted-by":"crossref","first-page":"845","DOI":"10.1093\/bioinformatics\/btt055","article-title":"GROMACS 4.5: A high-throughput and highly parallel open source molecular simulation toolkit","volume":"29","author":"Pronk","year":"2013","journal-title":"Bioinformatics"},{"key":"ref_85","doi-asserted-by":"crossref","first-page":"1545","DOI":"10.1002\/jcc.21287","article-title":"CHARMM: The biomolecular simulation program","volume":"30","author":"Brooks","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref_86","doi-asserted-by":"crossref","first-page":"1859","DOI":"10.1002\/jcc.20945","article-title":"CHARMM-GUI: A web-based graphical user interface for CHARMM","volume":"29","author":"Jo","year":"2008","journal-title":"J. Comput. Chem."},{"key":"ref_87","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1002\/pro.3280","article-title":"Improvements to the APBS biomolecular solvation software suite","volume":"27","author":"Jurrus","year":"2018","journal-title":"Protein. Sci."},{"key":"ref_88","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref_89","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"ref_90","unstructured":"BIOVIA Discovery Studio Dassault Syst\u00e8mes BIOVIA (2020). Discovery Studio Modeling Environment, Dassault Syst\u00e8mes."},{"key":"ref_91","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1007\/s12539-013-0153-1","article-title":"Structural, functional and molecular docking study to characterize GMI1 from Arabidopsis thaliana","volume":"5","author":"Islam","year":"2013","journal-title":"Interdiscip. Sci."}],"container-title":["International Journal of Molecular Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1422-0067\/23\/19\/11394\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T00:40:43Z","timestamp":1760143243000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1422-0067\/23\/19\/11394"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,27]]},"references-count":91,"journal-issue":{"issue":"19","published-online":{"date-parts":[[2022,10]]}},"alternative-id":["ijms231911394"],"URL":"https:\/\/doi.org\/10.3390\/ijms231911394","relation":{},"ISSN":["1422-0067"],"issn-type":[{"value":"1422-0067","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,9,27]]}}}