光杆菌damselae亚种未鉴定蛋白的功能注释piscicida (piscicida)和传统药物与植物化学化合物治疗鱼类疾病的药物靶点比较:一种计算机方法

Q4 Agricultural and Biological Sciences Genetics of Aquatic Organisms Pub Date : 2022-01-18 DOI:10.4194/ga453
Sk Injamamul Islam, M. Jahan
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引用次数: 4

摘要

少女光杆菌是世界上最致命的水产养殖细菌病原体之一。根据研究,damselae有一种未知的蛋白(UniprotKb ID: A0PB24)可以进入宿主细胞并诱导鱼感染。未知功能域是指已经通过实验鉴定但没有已知功能或结构域的蛋白质。针对这一未知的蛋白,我们发现该蛋白可能与豆selae的其他毒力蛋白有联系。因此,本研究的主要目的是揭示该蛋白的功能注释,并比较传统药物(氟喹、土霉素和氟苯尼考)和先前报道的四种潜在的芳香合子抗菌化合物的抑菌潜力。在本实验中,对未表征的蛋白质进行建模、精炼和验证。蛋白-蛋白相互作用网络提示该蛋白可能作为DNA/RNA水解酶,保守结构域搜索预测了两个不同的结构域。此外,利用对接方法计算了常规药物和植物化学化合物与该蛋白的结合亲和力,并预测了S. aromaticum抑制化合物与该蛋白的结合强度。此外,化合物的ADMET性质证实了这四种化合物的药物相似性。
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Functional Annotation of Uncharacterized Protein from Photobacterium damselae subsp. piscicida (Pasteurella piscicida) and Comparison of Drug Target Between Conventional Medicine and Phytochemical Compound Against Disease Treatment in Fish: An In-silico Approach
Photobacterium damselae is one of the deadliest bacterial pathogens in the world of aquaculture. P. damselae has an uncharacterized protein (UniprotKb ID: A0PB24) that can enter the host cell and induce infection in fish, according to research. Domains of unknown function are proteins that have been identified experimentally but do not have a known functional or structural domain. Targeting this uncharacterized protein, we found that this protein may have link with other virulent proteins of P. damselae. So, the main objective of the study was to reveal the functional annotation of the protein and compare the inhibitory potentiality of conventional drug (Flumequine, Oxytetracycline and Florfenicol) and four potential antibacterial compounds from Syzygium aromaticum which reported previously. The uncharacterized protein was modeled, refined, and validated in this experiment. The protein-protein interaction network suggested that this uncharacterized protein may serve as a DNA/RNA hydrase and conserved domain search predict two different domains. Furthermore, the binding affinity of conventional drugs and phytochemical compounds were calculated against the protein with the docking approaches and predict S. aromaticum inhibitory compounds bind strongly with the protein. In addition, the ADMET properties of the compounds confirmed the drug likeness properties of the four compounds.
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来源期刊
Genetics of Aquatic Organisms
Genetics of Aquatic Organisms Agricultural and Biological Sciences-Aquatic Science
CiteScore
0.90
自引率
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发文量
8
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