Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans

<h3>Background</h3><p dir="ltr">Parkinson’s disease is a disabling neurodegenerative movement disorder characterized by dopaminergic neuron loss induced by α-synuclein oligomers. There is an urgent need for disease-modifying therapies for Parkinson’s disease, but drug dis...

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Main Author: Kevin S. Chen (9201767) (author)
Other Authors: Krystal Menezes (11692035) (author), Jarlath B. Rodgers (2873462) (author), Darren M. O’Hara (9201761) (author), Nhat Tran (10733310) (author), Kazuko Fujisawa (11692038) (author), Seiya Ishikura (11692041) (author), Shahin Khodaei (11692044) (author), Hien Chau (355945) (author), Anna Cranston (11692047) (author), Minesh Kapadia (582056) (author), Grishma Pawar (10666899) (author), Susan Ping (11692050) (author), Aldis Krizus (4253764) (author), Alix Lacoste (11692053) (author), Scott Spangler (4499941) (author), Naomi P. Visanji (11692056) (author), Connie Marras (3540161) (author), Nour K. Majbour (8809316) (author), Omar M. A. El-Agnaf (8809331) (author), Andres M. Lozano (8627790) (author), Joseph Culotti (11692059) (author), Satoshi Suo (446967) (author), William S. Ryu (8630016) (author), Suneil K. Kalia (9201773) (author), Lorraine V. Kalia (9201770) (author)
Published: 2021
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author Kevin S. Chen (9201767)
author2 Krystal Menezes (11692035)
Jarlath B. Rodgers (2873462)
Darren M. O’Hara (9201761)
Nhat Tran (10733310)
Kazuko Fujisawa (11692038)
Seiya Ishikura (11692041)
Shahin Khodaei (11692044)
Hien Chau (355945)
Anna Cranston (11692047)
Minesh Kapadia (582056)
Grishma Pawar (10666899)
Susan Ping (11692050)
Aldis Krizus (4253764)
Alix Lacoste (11692053)
Scott Spangler (4499941)
Naomi P. Visanji (11692056)
Connie Marras (3540161)
Nour K. Majbour (8809316)
Omar M. A. El-Agnaf (8809331)
Andres M. Lozano (8627790)
Joseph Culotti (11692059)
Satoshi Suo (446967)
William S. Ryu (8630016)
Suneil K. Kalia (9201773)
Lorraine V. Kalia (9201770)
author2_role author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
author
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author_facet Kevin S. Chen (9201767)
Krystal Menezes (11692035)
Jarlath B. Rodgers (2873462)
Darren M. O’Hara (9201761)
Nhat Tran (10733310)
Kazuko Fujisawa (11692038)
Seiya Ishikura (11692041)
Shahin Khodaei (11692044)
Hien Chau (355945)
Anna Cranston (11692047)
Minesh Kapadia (582056)
Grishma Pawar (10666899)
Susan Ping (11692050)
Aldis Krizus (4253764)
Alix Lacoste (11692053)
Scott Spangler (4499941)
Naomi P. Visanji (11692056)
Connie Marras (3540161)
Nour K. Majbour (8809316)
Omar M. A. El-Agnaf (8809331)
Andres M. Lozano (8627790)
Joseph Culotti (11692059)
Satoshi Suo (446967)
William S. Ryu (8630016)
Suneil K. Kalia (9201773)
Lorraine V. Kalia (9201770)
author_role author
dc.creator.none.fl_str_mv Kevin S. Chen (9201767)
Krystal Menezes (11692035)
Jarlath B. Rodgers (2873462)
Darren M. O’Hara (9201761)
Nhat Tran (10733310)
Kazuko Fujisawa (11692038)
Seiya Ishikura (11692041)
Shahin Khodaei (11692044)
Hien Chau (355945)
Anna Cranston (11692047)
Minesh Kapadia (582056)
Grishma Pawar (10666899)
Susan Ping (11692050)
Aldis Krizus (4253764)
Alix Lacoste (11692053)
Scott Spangler (4499941)
Naomi P. Visanji (11692056)
Connie Marras (3540161)
Nour K. Majbour (8809316)
Omar M. A. El-Agnaf (8809331)
Andres M. Lozano (8627790)
Joseph Culotti (11692059)
Satoshi Suo (446967)
William S. Ryu (8630016)
Suneil K. Kalia (9201773)
Lorraine V. Kalia (9201770)
dc.date.none.fl_str_mv 2021-11-12T03:00:00Z
dc.identifier.none.fl_str_mv 10.1186/s13024-021-00497-6
dc.relation.none.fl_str_mv https://figshare.com/articles/journal_contribution/Small_molecule_inhibitors_of_-synuclein_oligomers_identified_by_targeting_early_dopamine-mediated_motor_impairment_in_C_elegans/25771977
dc.rights.none.fl_str_mv CC BY 4.0
info:eu-repo/semantics/openAccess
dc.subject.none.fl_str_mv Biomedical and clinical sciences
Neurosciences
Pharmacology and pharmaceutical sciences
Information and computing sciences
Machine learning
Alpha-synuclein
Animal model
Artificial intelligence
Drug discovery
Machine learning
Natural language processing
Neurodegeneration
Oligomers
Parkinson’s disease
dc.title.none.fl_str_mv Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
dc.type.none.fl_str_mv Text
Journal contribution
info:eu-repo/semantics/publishedVersion
text
contribution to journal
description <h3>Background</h3><p dir="ltr">Parkinson’s disease is a disabling neurodegenerative movement disorder characterized by dopaminergic neuron loss induced by α-synuclein oligomers. There is an urgent need for disease-modifying therapies for Parkinson’s disease, but drug discovery is challenged by lack of in vivo models that recapitulate early stages of neurodegeneration. Invertebrate organisms, such as the nematode worm Caenorhabditis elegans, provide in vivo models of human disease processes that can be instrumental for initial pharmacological studies.</p><h3>Methods</h3><p dir="ltr">To identify early motor impairment of animals expressing α-synuclein in dopaminergic neurons, we first used a custom-built tracking microscope that captures locomotion of single C. elegans with high spatial and temporal resolution. Next, we devised a method for semi-automated and blinded quantification of motor impairment for a population of simultaneously recorded animals with multi-worm tracking and custom image processing. We then used genetic and pharmacological methods to define the features of early motor dysfunction of α-synuclein-expressing C. elegans. Finally, we applied the C. elegans model to a drug repurposing screen by combining it with an artificial intelligence platform and cell culture system to identify small molecules that inhibit α-synuclein oligomers. Screen hits were validated using in vitro and in vivo mammalian models.</p><h3>Results</h3><p dir="ltr">We found a previously undescribed motor phenotype in transgenic α-synuclein C. elegans that correlates with mutant or wild-type α-synuclein protein levels and results from dopaminergic neuron dysfunction, but precedes neuronal loss. Together with artificial intelligence-driven in silico and in vitro screening, this C. elegans model identified five compounds that reduced motor dysfunction induced by α-synuclein. Three of these compounds also decreased α-synuclein oligomers in mammalian neurons, including rifabutin which has not been previously investigated for Parkinson’s disease. We found that treatment with rifabutin reduced nigrostriatal dopaminergic neurodegeneration due to α-synuclein in a rat model.</p><h3>Conclusions</h3><p dir="ltr">We identified a C. elegans locomotor abnormality due to dopaminergic neuron dysfunction that models early α-synuclein-mediated neurodegeneration. Our innovative approach applying this in vivo model to a multi-step drug repurposing screen, with artificial intelligence-driven in silico and in vitro methods, resulted in the discovery of at least one drug that may be repurposed as a disease-modifying therapy for Parkinson’s disease.</p><h2>Other Information</h2><p dir="ltr">Published in: Molecular Neurodegeneration<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1186/s13024-021-00497-6" target="_blank">https://dx.doi.org/10.1186/s13024-021-00497-6</a></p>
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identifier_str_mv 10.1186/s13024-021-00497-6
network_acronym_str Manara2
network_name_str Manara2
oai_identifier_str oai:figshare.com:article/25771977
publishDate 2021
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rights_invalid_str_mv CC BY 4.0
spelling Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegansKevin S. Chen (9201767)Krystal Menezes (11692035)Jarlath B. Rodgers (2873462)Darren M. O’Hara (9201761)Nhat Tran (10733310)Kazuko Fujisawa (11692038)Seiya Ishikura (11692041)Shahin Khodaei (11692044)Hien Chau (355945)Anna Cranston (11692047)Minesh Kapadia (582056)Grishma Pawar (10666899)Susan Ping (11692050)Aldis Krizus (4253764)Alix Lacoste (11692053)Scott Spangler (4499941)Naomi P. Visanji (11692056)Connie Marras (3540161)Nour K. Majbour (8809316)Omar M. A. El-Agnaf (8809331)Andres M. Lozano (8627790)Joseph Culotti (11692059)Satoshi Suo (446967)William S. Ryu (8630016)Suneil K. Kalia (9201773)Lorraine V. Kalia (9201770)Biomedical and clinical sciencesNeurosciencesPharmacology and pharmaceutical sciencesInformation and computing sciencesMachine learningAlpha-synucleinAnimal modelArtificial intelligenceDrug discoveryMachine learningNatural language processingNeurodegenerationOligomersParkinson’s disease<h3>Background</h3><p dir="ltr">Parkinson’s disease is a disabling neurodegenerative movement disorder characterized by dopaminergic neuron loss induced by α-synuclein oligomers. There is an urgent need for disease-modifying therapies for Parkinson’s disease, but drug discovery is challenged by lack of in vivo models that recapitulate early stages of neurodegeneration. Invertebrate organisms, such as the nematode worm Caenorhabditis elegans, provide in vivo models of human disease processes that can be instrumental for initial pharmacological studies.</p><h3>Methods</h3><p dir="ltr">To identify early motor impairment of animals expressing α-synuclein in dopaminergic neurons, we first used a custom-built tracking microscope that captures locomotion of single C. elegans with high spatial and temporal resolution. Next, we devised a method for semi-automated and blinded quantification of motor impairment for a population of simultaneously recorded animals with multi-worm tracking and custom image processing. We then used genetic and pharmacological methods to define the features of early motor dysfunction of α-synuclein-expressing C. elegans. Finally, we applied the C. elegans model to a drug repurposing screen by combining it with an artificial intelligence platform and cell culture system to identify small molecules that inhibit α-synuclein oligomers. Screen hits were validated using in vitro and in vivo mammalian models.</p><h3>Results</h3><p dir="ltr">We found a previously undescribed motor phenotype in transgenic α-synuclein C. elegans that correlates with mutant or wild-type α-synuclein protein levels and results from dopaminergic neuron dysfunction, but precedes neuronal loss. Together with artificial intelligence-driven in silico and in vitro screening, this C. elegans model identified five compounds that reduced motor dysfunction induced by α-synuclein. Three of these compounds also decreased α-synuclein oligomers in mammalian neurons, including rifabutin which has not been previously investigated for Parkinson’s disease. We found that treatment with rifabutin reduced nigrostriatal dopaminergic neurodegeneration due to α-synuclein in a rat model.</p><h3>Conclusions</h3><p dir="ltr">We identified a C. elegans locomotor abnormality due to dopaminergic neuron dysfunction that models early α-synuclein-mediated neurodegeneration. Our innovative approach applying this in vivo model to a multi-step drug repurposing screen, with artificial intelligence-driven in silico and in vitro methods, resulted in the discovery of at least one drug that may be repurposed as a disease-modifying therapy for Parkinson’s disease.</p><h2>Other Information</h2><p dir="ltr">Published in: Molecular Neurodegeneration<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1186/s13024-021-00497-6" target="_blank">https://dx.doi.org/10.1186/s13024-021-00497-6</a></p>2021-11-12T03:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1186/s13024-021-00497-6https://figshare.com/articles/journal_contribution/Small_molecule_inhibitors_of_-synuclein_oligomers_identified_by_targeting_early_dopamine-mediated_motor_impairment_in_C_elegans/25771977CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/257719772021-11-12T03:00:00Z
spellingShingle Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
Kevin S. Chen (9201767)
Biomedical and clinical sciences
Neurosciences
Pharmacology and pharmaceutical sciences
Information and computing sciences
Machine learning
Alpha-synuclein
Animal model
Artificial intelligence
Drug discovery
Machine learning
Natural language processing
Neurodegeneration
Oligomers
Parkinson’s disease
status_str publishedVersion
title Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
title_full Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
title_fullStr Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
title_full_unstemmed Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
title_short Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
title_sort Small molecule inhibitors of α-synuclein oligomers identified by targeting early dopamine-mediated motor impairment in C. elegans
topic Biomedical and clinical sciences
Neurosciences
Pharmacology and pharmaceutical sciences
Information and computing sciences
Machine learning
Alpha-synuclein
Animal model
Artificial intelligence
Drug discovery
Machine learning
Natural language processing
Neurodegeneration
Oligomers
Parkinson’s disease