PDF(Pubmed)
Abstract：
BACKGROUND: Monkeypox virus is a small, double-stranded DNA virus that causes a zoonotic disease called Monkeypox. The disease has spread from Central and West Africa to Europe and North America and created havoc in some countries all around the world. The complete genome of the Monkeypox virus Zaire-96-I-16 has been sequenced. The viral strain contains 191 protein-coding genes with 30 hypothetical proteins whose structure and function are still unknown. Hence, it is imperative to functionally and structurally annotate the hypothetical proteins to get a clear understanding of novel drug and vaccine targets. The purpose of the study was to characterize the 30 hypothetical proteins through the determination of physicochemical properties, subcellular characterization, function prediction, functional domain prediction, structure prediction, structure validation, structural analysis, and ligand binding sites using Bioinformatics tools.
RESULTS: The structural and functional analysis of 30 hypothetical proteins was carried out in this research. Out of these, 3 hypothetical functions (Q8V547, Q8V4S4, Q8V4Q4) could be assigned a structure and function confidently. Q8V547 protein in Monkeypox virus Zaire-96-I-16 is predicted as an apoptosis regulator which promotes viral replication in the infected host cell. Q8V4S4 is predicted as a nuclease responsible for viral evasion in the host. The function of Q8V4Q4 is to prevent host NF-kappa-B activation in response to pro-inflammatory cytokines like TNF alpha or interleukin 1 beta.
CONCLUSIONS: Out of the 30 hypothetical proteins of Monkeypox virus Zaire-96-I-16, 3 were annotated using various bioinformatics tools. These proteins function as apoptosis regulators, nuclease, and inhibitors of NF-Kappa-B activator. The functional and structural annotation of the proteins can be used to perform a docking with potential leads to discover novel drugs and vaccines against the Monkeypox. In vivo research can be carried out to identify the complete potential of the annotated proteins.
RESULTS: The structural and functional analysis of 30 hypothetical proteins was carried out in this research. Out of these, 3 hypothetical functions (Q8V547, Q8V4S4, Q8V4Q4) could be assigned a structure and function confidently. Q8V547 protein in Monkeypox virus Zaire-96-I-16 is predicted as an apoptosis regulator which promotes viral replication in the infected host cell. Q8V4S4 is predicted as a nuclease responsible for viral evasion in the host. The function of Q8V4Q4 is to prevent host NF-kappa-B activation in response to pro-inflammatory cytokines like TNF alpha or interleukin 1 beta.
CONCLUSIONS: Out of the 30 hypothetical proteins of Monkeypox virus Zaire-96-I-16, 3 were annotated using various bioinformatics tools. These proteins function as apoptosis regulators, nuclease, and inhibitors of NF-Kappa-B activator. The functional and structural annotation of the proteins can be used to perform a docking with potential leads to discover novel drugs and vaccines against the Monkeypox. In vivo research can be carried out to identify the complete potential of the annotated proteins.
摘要：
背景：猴痘病毒是一种小病毒，引起人畜共患疾病的双链DNA病毒称为猴痘。这种疾病已经从中非和西非传播到欧洲和北美，并在世界各地的一些国家造成了严重破坏。已对猴痘病毒Zaire-96-I-16的完整基因组进行了测序。该病毒株包含191个蛋白质编码基因，其中30个假设的蛋白质的结构和功能仍然未知。因此，必须在功能和结构上注释假设的蛋白质，以清楚地了解新的药物和疫苗靶标。该研究的目的是通过理化性质的测定来表征30种假设的蛋白质，亚细胞特征，函数预测，功能域预测，结构预测，结构验证，结构分析,和使用生物信息学工具的配体结合位点。
结果：在这项研究中对30种假设蛋白质进行了结构和功能分析。在这些中，3个假设的功能（Q8V547，Q8V4S4，Q8V4Q4）可以放心地分配一个结构和功能。猴痘病毒Zaire-96-I-16中的Q8V547蛋白被预测为促进感染宿主细胞中病毒复制的凋亡调节因子。预测Q8V4S4是负责宿主中病毒逃避的核酸酶。Q8V4Q4的功能是防止宿主NF-kappa-B激活以响应促炎细胞因子如TNFα或白介素1β。
结论：在猴痘病毒扎伊尔-96-I-16的30种假设蛋白中，有3种使用各种生物信息学工具进行了注释。这些蛋白质作为细胞凋亡调节因子,核酸酶,和NF-κB激活剂的抑制剂。蛋白质的功能和结构注释可用于与潜在的线索进行对接，以发现针对猴痘的新药和疫苗。可以进行体内研究以鉴定注释蛋白质的完整潜力。
结果：在这项研究中对30种假设蛋白质进行了结构和功能分析。在这些中，3个假设的功能（Q8V547，Q8V4S4，Q8V4Q4）可以放心地分配一个结构和功能。猴痘病毒Zaire-96-I-16中的Q8V547蛋白被预测为促进感染宿主细胞中病毒复制的凋亡调节因子。预测Q8V4S4是负责宿主中病毒逃避的核酸酶。Q8V4Q4的功能是防止宿主NF-kappa-B激活以响应促炎细胞因子如TNFα或白介素1β。
结论：在猴痘病毒扎伊尔-96-I-16的30种假设蛋白中，有3种使用各种生物信息学工具进行了注释。这些蛋白质作为细胞凋亡调节因子,核酸酶,和NF-κB激活剂的抑制剂。蛋白质的功能和结构注释可用于与潜在的线索进行对接，以发现针对猴痘的新药和疫苗。可以进行体内研究以鉴定注释蛋白质的完整潜力。
