Discovery of Potential Anthelmintic Agents Against Gyrodactylus kobayashii Through Computer-Aided Drug Design and In Vivo Evaluation.

• Tác giả: Xiaohui Ai, Jing Dong, Yongtao Liu, Liwei Xia, Ning Xu, Qiuhong Yang, Shun Zhou
• Ngôn ngữ: eng
• Ký hiệu phân loại: 978.02 1800–1899
• Thông tin xuất bản: England : Journal of fish diseases , 2025
• Bộ sưu tập: NCBI
• ID: 676055

Tóm tắt

Monogeneans are ectoparasitic flatworms causing significant economic losses in aquaculture. This study aimed to identify potential anthelmintic agents against these parasites by integrating computer-aided drug design (CADD) and in vivo evaluation. The β-tubulin gene, a well-established anthelmintic target, was cloned from Gyrodactylus kobayashii and its three-dimensional structure was generated using homology modelling. Virtual screening of 2319 FDA-approved drugs and nine common benzimidazoles against the modelled β-tubulin identified several promising compounds with low binding energy. Subsequent in vivo anthelmintic efficacy and acute toxicity assays in goldfish revealed etravirine as a potent candidate with an EC