{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T15:26:29Z","timestamp":1785597989535,"version":"3.56.0"},"reference-count":41,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T00:00:00Z","timestamp":1740355200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100002322","name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005668","name":"Funda\u00e7\u00e3o de Apoio \u00e0 Pesquisa do Distrito Federal","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100005668","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Proteins"],"published-print":{"date-parts":[[2025,7]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Many neurodegenerative diseases are directly related to the formation of toxic protein aggregates, such as Alzheimer's disease, which is associated with the aggregation of amyloid\u2010beta (A\n                    <jats:italic>\u03b2<\/jats:italic>\n                    ). In this context, protein fibrils are the hallmark of these neurodegenerative diseases. In this sense, developing compounds capable of preventing or reducing the formation of protein aggregation in the brain can be of fundamental importance for the curative treatment of these diseases. Animals' venom compounds are known to be selected for nervous system targets, therefore, they are considered an interesting platform for developing pharmacological tools. This work presents a study of the ligands Octovespin (bioinspired by the wasp venom\n                    <jats:italic>Polybia occidentalis<\/jats:italic>\n                    ) and Fraternine\u201010 (bioinspired by the wasp venom\n                    <jats:italic>Parachartergus fraternus<\/jats:italic>\n                    ) concerning the disaggregation and anti\u2010aggregation of fibrils of A\n                    <jats:italic>\u03b2<\/jats:italic>\n                    (17\u201342) sheets. First, we performed in silico calculations using molecular docking and molecular dynamics simulations with 200\u2009ns. The results indicate that Octovespin and Fraternine\u201010 interact with the A\n                    <jats:italic>\u03b2<\/jats:italic>\n                    protein fibrils throughout all simulation time. The RMSD, RMSF, number of hydrogen and radius of gyration values and the interactions with amino acids responsible for fibril aggregation demonstrate that both Octovespin and Fraternine\u201010 have a significant disaggregation potential, which corroborates the in\u00a0vitro and in\u00a0vivo experimental observations. Furthermore, experimental data of Fraternine\u201010 demonstrated an anti\u2010aggregation effect, indicating that it can promote fibril disaggregation and prevent them from aggregating again to form oligomers. However, in\u00a0vivo data of Fraternine\u201010 did not show improvement. Even though in\u00a0vivo results were not promising, the in\u00a0vitro and in silico discoveries qualify these molecules as potential sources for developing new candidates to become medicines against Alzheimer's disease.\n                  <\/jats:p>","DOI":"10.1002\/prot.26806","type":"journal-article","created":{"date-parts":[[2025,3,11]],"date-time":"2025-03-11T12:01:27Z","timestamp":1741694487000},"page":"1257-1268","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Evaluation of the Ability of Wasp Venom Bioinspired Peptides (Fraternine\u201010 and Octovespin) in the Disaggregation and Anti\u2010Aggregation of Amyloid\u2010\n                    <i>\u03b2<\/i>\n                    Fibrils"],"prefix":"10.1002","volume":"93","author":[{"given":"Yuri Alves","family":"de Oliveira S\u00f3","sequence":"first","affiliation":[{"name":"Institute of Physics University of Brasilia  Bras\u00edlia Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Caio Vin\u00edcius Sousa","family":"Costa","sequence":"additional","affiliation":[{"name":"Institute of Physics University of Brasilia  Bras\u00edlia Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Luana Cristina","family":"Camargo","sequence":"additional","affiliation":[{"name":"Laboratory of Neuropharmacology, Department of Physiological Sciences University of Brasilia  Bras\u00edlia Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Let\u00edcia Germino","family":"Veras","sequence":"additional","affiliation":[{"name":"Laboratory of Neuropharmacology, Department of Physiological Sciences University of Brasilia  Bras\u00edlia Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Luiz Ant\u00f4nio Ribeiro","family":"J\u00fanior","sequence":"additional","affiliation":[{"name":"Institute of Physics University of Brasilia  Bras\u00edlia Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"M\u00e1rcia Renata","family":"Mortari","sequence":"additional","affiliation":[{"name":"Laboratory of Neuropharmacology, Department of Physiological Sciences University of Brasilia  Bras\u00edlia Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ricardo","family":"Gargano","sequence":"additional","affiliation":[{"name":"Institute of Physics University of Brasilia  Bras\u00edlia Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,2,24]]},"reference":[{"key":"e_1_2_9_2_1","first-page":"657","article-title":"The Structure and Function of \u03b1, \u03b2 and \u03b3\u2010Secretase as Therapeutic Target Enzymes in the Development of Alzheimer's Disease: A Review","volume":"18","author":"Ahmad S. 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