Abstract Peptides with antimicrobial potential can now be easily and efficiently predicted, designed and validated using in silico tools. Here, twelve peptides with molecular weights between 1.6 and 1.8 kDa were predicted from the sequence of the small subunit of Penaeus vannamei hemocyanin (PvHS) using three online software (AntiBP2, CAMP and APD3). Among the twelve predicted peptides, two peptides, PvHS8 and PvHS9, with the highest prediction score, were selected and their antimicrobial activities ascertained. Both peptide PvHS8 and PvHS9 had strong antimicrobial activity on Gram-negative (i.e., Vibrio parahaemolyticus, Vibrio fluvialis, Vibrio alginolyticus, Escherichia coli, and Aeromonas hydrophila) and Gram-positive (i.e., Staphylococcus aureus, Streptococcus iniae) bacteria, with PvHS9 having the strongest activity. Structural analysis using circular dichroism (CD) and nuclear magnetic resonance (NMR) revealed that peptide PvHS9 (FWVSLKGGKTSIERK) has a β-sheet structure. Mutation of PvHS9 to distort its β-sheet structure and net positive charge attenuated its antimicrobial activity. In addition, scanning electron microscopy (SEM) analysis revealed that peptide PvHS9 destroys bacteria cells by causing membrane rupture and cell death.

中文翻译：

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PvHS9 是一种新型的计算机预测抗菌肽，来源于南美白对虾的血蓝蛋白

摘要 现在可以使用计算机工具轻松有效地预测、设计和验证具有抗菌潜力的肽。在这里，使用三个在线软件（AntiBP2、CAMP 和 APD3）从南美白对虾血蓝蛋白 (PvHS) 的小亚基序列预测了 12 种分子量介于 1.6 和 1.8 kDa 之间的肽。在十二个预测肽中，选择了预测得分最高的两种肽 PvHS8 和 PvHS9，并确定了它们的抗菌活性。肽 PvHS8 和 PvHS9 对革兰氏阴性菌（即副溶血性弧菌、河流弧菌、溶藻弧菌、大肠杆菌和嗜水气单胞菌）和革兰氏阳性菌（即金黄色葡萄球菌、链球菌）均具有很强的抗菌活性，其中 PvHS9 具有最强的活动。使用圆二色性 (CD) 和核磁共振 (NMR) 的结构分析显示肽 PvHS9 (FWVSLKGGKTSIERK) 具有 β-折叠结构。PvHS9 的突变以扭曲其 β-折叠结构和净正电荷减弱了其抗菌活性。此外，扫描电子显微镜 (SEM) 分析显示肽 PvHS9 通过导致膜破裂和细胞死亡来破坏细菌细胞。