PDF(Pubmed)
Abstract：
The genus Capripoxvirus belongs to the Poxviridae family. The sheeppox, goatpox, and lumpy skin disease viruses are three species of this genus with 96% identity in their genomes. These are financially devastating viral infections among cattle, which cause a reduction in animal products and lead to a loss in livestock industries. In the current study, the phylogenetic analysis was carried out to reveal the evolutionary relationships of Capripoxvirus species (i.e., sheeppox virus (SPPV), goatpox virus (GTPV), and lumpy skin disease virus (LSDV)) with other viruses from the Poxviridae family with >96% query coverage to find the similarity index among all members. The three viruses (i.e., SPPV, GTPV, and LSDV) joined the clade of Capripoxvirus of the Poxviridae family in the phylogenetic tree and exhibited close evolutionary relationships. The multiple sequence alignment using ClustalOmega revealed significant variations in the protein sequences of the DNA-dependent RNA polymerase of SPPV, GTPV, and LSDV. The three-dimensional structures of five selected bee peptides and DNA-directed RNA polymerase of SPPV, GTPV, and LSDV were predicted using trRosetta and I-TASSER and used for molecular docking and simulation studies. The protein-protein docking was carried out using HADDOCK server to explore the antiviral activity of peptides as honey bee proteins against SPPV, GTPV, and LSDV. In total, five peptides were docked to DNA-directed RNA polymerase of these viruses. The peptides mellitin and secapin-1 displayed the lowest binding scores (-106.9 +/- 7.2 kcal/mol and -101.4 +/- 11.3 kcal/mol, respectively) and the best patterns with stable complexes. The molecular dynamics simulation indicated that the complex of protein DNA-dependent RNA polymerase and the peptide melittin stayed firmly connected and the peptide binding to the receptor protein was stable. The findings of this study provide the evidence of bee peptides as potent antimicrobial agents against sheeppox, goatpox, and lumpy skin disease viruses with no complexity.
摘要：
Capropoxvirus属属于Poxviridae家族。羊痘,山羊痘,块状皮肤病病毒是该属的三个物种，其基因组具有96％的同一性。这些是经济上毁灭性的牛病毒感染，这导致动物产品的减少，并导致畜牧业的损失。在目前的研究中,进行了系统发育分析，以揭示Capropoxvirus物种的进化关系(即，羊痘病毒（SPPV），山羊痘病毒（GTPV），和块状皮肤病病毒（LSDV））与Poxviridae家族的其他病毒的查询覆盖率>96％，以查找所有成员之间的相似性指数。这三种病毒(即，SPPV,GTPV,和LSDV）在系统发育树中加入了Poxviridae家族的Capropoxvirus进化枝，并表现出紧密的进化关系。使用ClustalOmega的多序列比对揭示了SPPV的DNA依赖性RNA聚合酶的蛋白质序列的显着变化，GTPV,LSDV5种选定的蜜蜂肽和SPPV的DNA定向RNA聚合酶的三维结构，GTPV,使用trRosetta和I-TASSER预测LSDV，并用于分子对接和模拟研究。使用HADDOCK服务器进行蛋白质-蛋白质对接，以探索多肽作为蜜蜂蛋白质对SPPV的抗病毒活性，GTPV,LSDV总的来说,将五种肽与这些病毒的DNA定向RNA聚合酶对接。肽mellitin和secapin-1显示最低的结合得分（-106.9+/-7.2kcal/mol和-101.4+/-11.3kcal/mol，分别）和具有稳定复合物的最佳模式。分子动力学模拟表明，蛋白质DNA依赖性RNA聚合酶与肽蜂毒素的复合物保持牢固连接，并且与受体蛋白结合的肽是稳定的。这项研究的结果提供了蜜蜂肽作为抗羊痘的有效抗菌剂的证据，山羊痘,和不复杂的块状皮肤病病毒。
