Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α-Synuclein Secondary Nucleation-Reference-Cited by-同舟云学术

Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α-Synuclein Secondary Nucleation

Published:2023-03-20 Issue:14 Volume:19 Page:4701-4710
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Horne Robert I.¹^ORCID,Murtada Mhd Hussein¹,Huo Donghui¹²,Brotzakis Z. Faidon¹,Gregory Rebecca C.¹,Possenti Andrea¹,Chia Sean¹³,Vendruscolo Michele¹^ORCID

Affiliation:

1. Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom

2. College of Life Science and Technology, Beijing University of Chemical Technology, Beijing 100029, China

3. Bioprocessing Technology Institute, Agency of Science, Technology and Research (A*STAR), Singapore 138668, Singapore

Funder

Federation of European Biochemical Societies

China Scholarship Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01303

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1. -Synuclein in filamentous inclusions of Lewy bodies from Parkinson's disease and dementia with Lewy bodies

2. When Do α-Synucleinopathies Start? An Epidemiological Timeline

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4. Small soluble α-synuclein aggregates are the toxic species in Parkinson’s disease

5. Structural basis of membrane disruption and cellular toxicity by α-synuclein oligomers

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