β-生育三烯酚和δ-生育三烯酚作为猫传染性腹膜炎病毒主要蛋白酶的额外抑制剂：硅学分析。

IF 2 2区农林科学 Q2 VETERINARY SCIENCES Veterinary Sciences Pub Date : 2024-09-11 DOI:10.3390/vetsci11090424

Manos C Vlasiou, Georgios Nikolaou, Kyriakos Spanoudes, Daphne E Mavrides

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引用次数: 0

摘要

猫传染性腹膜炎（FIP）是一种严重的致命性疾病，家养猫科动物和野生猫科动物都会感染，但有效的治疗方法却很有限。考虑到在动物和人类模型中观察到的维生素 E 在生理和病理条件下的显著免疫调节作用，我们对维生素 E 和相关化合物及其对猫传染性腹膜炎病毒 3C 样蛋白酶（FIPV-3CLpro）晶体结构的影响进行了全面的硅学研究。这项工作揭示了β-生育三烯酚和δ-生育三烯酚类似物作为这种蛋白的候选抑制剂，表明它们有可能成为治疗猫传染性腹膜炎病毒的药物化合物，或与目前治疗这种疾病的药物配合使用。

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β-Tocotrienol and δ-Tocotrienol as Additional Inhibitors of the Main Protease of Feline Infectious Peritonitis Virus: An In Silico Analysis.

Feline infectious peritonitis (FIP) is a severe and invariably fatal disease affecting both domestic and wild felines with limited effective therapeutic options available. By considering the significant immunomodulatory effects of vitamin E observed in both animal and human models under physiological and pathological conditions, we have provided a full in silico investigation of vitamin E and related compounds and their effect on the crystal structure of feline infectious peritonitis virus 3C-like protease (FIPV-3CL^pro). This work revealed the β-tocotrienol and δ-tocotrienol analogs as inhibitor candidates for this protein, suggesting their potential as possible drug compounds against FIP or their supplementary use with current medicines against this disease.

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来源期刊

Veterinary Sciences VETERINARY SCIENCES-

CiteScore

2.90

自引率

8.30%

发文量

612

审稿时长

6 weeks

期刊介绍： Veterinary Sciences is an international and interdisciplinary scholarly open access journal. It publishes original that are relevant to any field of veterinary sciences, including prevention, diagnosis and treatment of disease, disorder and injury in animals. This journal covers almost all topics related to animal health and veterinary medicine. Research fields of interest include but are not limited to: anaesthesiology anatomy bacteriology biochemistry cardiology dentistry dermatology embryology endocrinology epidemiology genetics histology immunology microbiology molecular biology mycology neurobiology oncology ophthalmology parasitology pathology pharmacology physiology radiology surgery theriogenology toxicology virology.