{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,30]],"date-time":"2026-08-30T02:08:15Z","timestamp":1788055695807,"version":"build-2784847793"},"reference-count":39,"publisher":"Wiley","issue":"6","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\/501100012428","name":"Central Public-interest Scientific Institution Basal Research Fund, Chinese Academy of Fishery Sciences","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100012428","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Journal of Fish Diseases"],"published-print":{"date-parts":[[2025,6]]},"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p>Monogeneans are ectoparasitic flatworms causing significant economic losses in aquaculture. This study aimed to identify potential anthelmintic agents against these parasites by integrating computer\u2010aided drug design (CADD) and in\u00a0vivo evaluation. The \u03b2\u2010tubulin gene, a well\u2010established anthelmintic target, was cloned from <jats:italic>Gyrodactylus kobayashii<\/jats:italic> and its three\u2010dimensional structure was generated using homology modelling. Virtual screening of 2319 FDA\u2010approved drugs and nine common benzimidazoles against the modelled \u03b2\u2010tubulin identified several promising compounds with low binding energy. Subsequent in\u00a0vivo anthelmintic efficacy and acute toxicity assays in goldfish revealed etravirine as a potent candidate with an EC<jats:sub>50<\/jats:sub> value of 0.55\u2009mg\/L and a therapeutic index (TI) greater than 18.18. This favourable safety profile highlights etravirine's potential for controlling monogenean infections in aquaculture. Flubendazole and mebendazole also demonstrated potent anthelmintic activity, with EC<jats:sub>50<\/jats:sub> values of 0.022 and 0.023\u2009mg\/L and therapeutic indices exceeding 45.45 and 43.48, respectively. Molecular dynamics simulations confirmed stable binding modes for flubendazole and mebendazole with \u03b2\u2010tubulin, providing mechanistic insights into their anthelmintic activity. Overall, this study demonstrated the utility of CADD in identifying potential therapeutic agents against monogenean and underscored the importance of \u03b2\u2010tubulin as a key target for anthelmintic therapy, contributing to the development of sustainable aquaculture practices.<\/jats:p>","DOI":"10.1111\/jfd.14102","type":"journal-article","created":{"date-parts":[[2025,3,8]],"date-time":"2025-03-08T03:33:31Z","timestamp":1741404811000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Discovery of Potential Anthelmintic Agents Against <i>Gyrodactylus kobayashii<\/i> Through Computer\u2010Aided Drug Design and In\u00a0Vivo Evaluation"],"prefix":"10.1111","volume":"48","author":[{"given":"Jing","family":"Dong","sequence":"first","affiliation":[{"name":"Yangtze River Fisheries Research Institute Chinese Academy of Fishery Sciences  Wuhan 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