Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking
Digital
- Autores:
-
Rondón Villarreal, Paola
Contreras López, William-Omar
- Tipo de recurso:
- Article of journal
- Fecha de publicación:
- 2020
- Institución:
- Universidad de Santander
- Repositorio:
- Repositorio Universidad de Santander
- Idioma:
- eng
- OAI Identifier:
- oai:repositorio.udes.edu.co:001/5630
- Acceso en línea:
- https://doi.org/10.1016/j.jmgm.2020.107547
https://repositorio.udes.edu.co/handle/001/5630
- Palabra clave:
- Neuroprotective
Neurotoxic
α-synuclein
Chemoinformatics
Molecular docking
Parkinson
- Rights
- closedAccess
- License
- The Editor(s) and the Author(s), 2020
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Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking |
| title |
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking |
| spellingShingle |
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking Neuroprotective Neurotoxic α-synuclein Chemoinformatics Molecular docking Parkinson |
| title_short |
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking |
| title_full |
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking |
| title_fullStr |
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking |
| title_full_unstemmed |
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking |
| title_sort |
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking |
| dc.creator.fl_str_mv |
Rondón Villarreal, Paola Contreras López, William-Omar |
| dc.contributor.author.none.fl_str_mv |
Rondón Villarreal, Paola Contreras López, William-Omar |
| dc.subject.proposal.eng.fl_str_mv |
Neuroprotective Neurotoxic α-synuclein Chemoinformatics Molecular docking Parkinson |
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Neuroprotective Neurotoxic α-synuclein Chemoinformatics Molecular docking Parkinson |
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Digital |
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2020 |
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2020-01-01 |
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2021-09-20T16:42:30Z |
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eng |
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Junio, 2020 |
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97 |
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Paola Rondón-Villarreal, William Omar Contreras López, Identification of potential natural neuroprotective molecules for Parkinson’s disease by using chemoinformatics and molecular docking, Journal of Molecular Graphics and Modelling, Volume 97, 2020, 107547, ISSN 1093-3263, https://doi.org/10.1016/j.jmgm.2020.107547. |
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1 p. |
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Rondón Villarreal, Paola8c5e399b-8f10-43d4-9834-7a43f426c16c-1Contreras López, William-Omar08e84c07-73e6-4646-81ed-559115d3c76f-12021-09-20T16:42:30Z2021-09-20T16:42:30Z2020-01-01DigitalParkinson’s disease is a progressive nervous system disorder characterized by motor, cognitive, sensory, psychiatric, and autonomic disturbances. While there is currently no cure for Parkinson’s Disease, medication can offer relief from its symptoms for many years. Although these medications are considered safe, they can present acute or chronic side effects and can become less effective over time. Thus, new medications are highly needed. In this regard, α-synuclein is a protein of great interest to Parkinson’s researchers because it is a major constituent of Lewy bodies, which are protein clumps being the pathological hallmark of Parkinson’s disease. However, current medications are not focused on the inhibition of α-synuclein oligomerization, and therefore, therapeutics preventing the formation of these bodies through the inhibition of α-synuclein oligomerization may play a role in the fight against this and other synucleinopathies. In this study, we used chemoinformatics tools and molecular docking simulations to analyze molecules that have been experimentally tested and bound to α-synuclein, causing neuroprotective or neurotoxic activity, and whose results have been used to select potential natural neuroprotective molecules. We identified 6 potential natural neuroprotective molecules that are similar in their chemical structure to neuroprotective molecules and have a high number of hydrogen bonds with α-synuclein. We expect that these molecules may lead to the design or discovery of new effective treatments for Parkinson’s disease.1 ed.1 p.application/pdfhttps://doi.org/10.1016/j.jmgm.2020.107547https://repositorio.udes.edu.co/handle/001/5630engJunio, 202097Paola Rondón-Villarreal, William Omar Contreras López, Identification of potential natural neuroprotective molecules for Parkinson’s disease by using chemoinformatics and molecular docking, Journal of Molecular Graphics and Modelling, Volume 97, 2020, 107547, ISSN 1093-3263, https://doi.org/10.1016/j.jmgm.2020.107547.Journal of Molecular Graphics and ModellingThe Editor(s) and the Author(s), 2020info:eu-repo/semantics/closedAccessAtribución-NoComercial 4.0 Internacional (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/http://purl.org/coar/access_right/c_14cbhttps://www.sciencedirect.com/science/article/abs/pii/S1093326319307405#kwrds0010NeuroprotectiveNeurotoxicα-synucleinChemoinformaticsMolecular dockingParkinsonIdentification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular dockingArtículo de revistahttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1Textinfo:eu-repo/semantics/articlehttp://purl.org/redcol/resource_type/ARTinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/version/c_970fb48d4fbd8a85Todas las AudienciasPublicationORIGINALIdentification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking.pdfIdentification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking.pdfapplication/pdf241624https://repositorio.udes.edu.co/bitstreams/8f20dee1-619e-4773-a804-d1ad8038cfcf/downloadbe07b0a8afbce555256b1e51c334d4b3MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-859https://repositorio.udes.edu.co/bitstreams/0ff95c3e-9922-4eef-b12f-6d591b42aa01/download38d94cf55aa1bf2dac1a736ac45c881cMD52TEXTIdentification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking.pdf.txtIdentification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking.pdf.txtExtracted texttext/plain5https://repositorio.udes.edu.co/bitstreams/6a47f4a7-1a75-404a-beae-a249c85658c3/download5dbe86c1111d64f45ba435df98fdc825MD53THUMBNAILIdentification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking.pdf.jpgIdentification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular docking.pdf.jpgGenerated Thumbnailimage/jpeg5881https://repositorio.udes.edu.co/bitstreams/0d64674a-42bf-4e4b-8302-f51d995db2ae/download49d4c3e2f10eb04a643e1940d58b1bffMD54001/5630oai:repositorio.udes.edu.co:001/56302023-10-11 11:10:51.183https://creativecommons.org/licenses/by-nc/4.0/The Editor(s) and the Author(s), 2020https://repositorio.udes.edu.coRepositorio Universidad de Santandersoporte@metabiblioteca.comTGljZW5jaWEgZGUgUHVibGljYWNpw7NuIFVERVMKRGlyZWN0cmljZXMgZGUgVVNPIHkgQUNDRVNPCgo= |