Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource High-affinity binding of celastrol to monomeric ?-synuclein mitigates invitro aggregation Subject The topic of the resource aggregation; celastrol; Parkinsons disease; phytochemical; ?-Synuclein Description An account of the resource ?-Synuclein (?Syn) aggregation is associated with Parkinsons disease (PD). The region ?Syn36-42 acts as the nucleation 'master controller and ?Syn1-12 as a secondary nucleation site. They drive monomeric ?Syn to aggregation. Small molecules targeting these motifs are promising for disease-modifying therapy. Using computational techniques, we screened thirty phytochemicals for ?Syn binding. The top three compounds were experimentally validated for their binding affinity. Amongst them, celastrol showed high binding affinity. NMR analysis confirmed stable ?Syn-celastrol interactions involving several residues in the N-terminus and NAC regions but not in the C-terminal tail. Importantly, celastrol interacted extensively with the key motifs that drive ?Syn aggregation. Thioflavin-T assay indicated that celastrol reduced ?Syn aggregation. Thus, celastrol holds promise as a potent drug candidate for PD. Communicated by Ramaswamy H. Sarma. 2023 Informa UK Limited, trading as Taylor &amp; Francis Group. Creator An entity primarily responsible for making the resource Kavya R.; Aouti S.; Jos S.; Prasad T.K.; Kumuda K.N.; Unni S.; Padmanabhan B.; Kamariah N.; Padavattan S.; Mythri R.B. Source A related resource from which the described resource is derived Journal of Biomolecular Structure and Dynamics, Vol-41, No. 22, pp. 12703-12713. Publisher An entity responsible for making the resource available Taylor and Francis Ltd. Date A point or period of time associated with an event in the lifecycle of the resource 2023-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1080/07391102.2023.2175379" target="_blank" rel="noreferrer noopener">https://doi.org/10.1080/07391102.2023.2175379</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85147663902&amp;doi=10.1080%2F07391102.2023.2175379&amp;partnerID=40&amp;md5=c3b10fc15128bd1fc55a2ee15ef6c5a6" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85147663902&amp;doi=10.1080%2f07391102.2023.2175379&amp;partnerID=40&amp;md5=c3b10fc15128bd1fc55a2ee15ef6c5a6</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 7391102; PubMed ID: 36744543; CODEN: JBSDD Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Kavya R., Department of Biotechnology, Mount Carmel College, Autonomous, Karnataka, Bengaluru, India; Aouti S., Department of Biophysics, National Institute of Mental Health and Neurosciences, Karnataka, Bengaluru, India; Jos S., Department of Biophysics, National Institute of Mental Health and Neurosciences, Karnataka, Bengaluru, India; Prasad T.K., Centre for Chemical Biology &amp; Therapeutics, Institute for Stem Cell Science and Regenerative Medicine, Karnataka, Bengaluru, India; Kumuda K.N., Department of Biotechnology, Mount Carmel College, Autonomous, Karnataka, Bengaluru, India, Department of Biosciences, School of science and technology, Nottingham Trent University, Clifton Campus, Clifton Ln, Clifton, Nottingham, NG11 8NS, United Kingdom; Unni S., Department of Biophysics, National Institute of Mental Health and Neurosciences, Karnataka, Bengaluru, India, European Molecular Biology Laboratory, EMBL, 71, Avenue des Martyrs, CS 90181, Cedex 9, Grenoble, 34042, France; Padmanabhan B., Department of Biophysics, National Institute of Mental Health and Neurosciences, Karnataka, Bengaluru, India; Kamariah N., Centre for Chemical Biology &amp; Therapeutics, Institute for Stem Cell Science and Regenerative Medicine, Karnataka, Bengaluru, India; Padavattan S., Department of Biophysics, National Institute of Mental Health and Neurosciences, Karnataka, Bengaluru, India; Mythri R.B., Department of Biotechnology, Mount Carmel College, Autonomous, Karnataka, Bengaluru, India, Department of Psychology, Christ (Deemed to be University), Dharmaram College Post, Hosur Road, Karnataka, Bengaluru, 560029, India