Innophore , Graz, Austria.
Institute of Molecular Biosciences, University of Graz , Graz, Austria.
Microbiol Spectr. 2023 Dec 12;11(6):e0231523. doi: 10.1128/spectrum.02315-23. Epub 2023 Oct 24.
The 2022 outbreak of the monkeypox virus already involves, by April 2023, 110 countries with 86,956 confirmed cases and 119 deaths. Understanding an emerging disease on a molecular level is essential to study infection processes and eventually guide drug discovery at an early stage. To support this, we provide the so far most comprehensive structural proteome of the monkeypox virus, which includes 210 structural models, each computed with three state-of-the-art structure prediction methods. Instead of building on a single-genome sequence, we generated our models from a consensus of 3,713 high-quality genome sequences sampled from patients within 1 year of the outbreak. Therefore, we present an average structural proteome of the currently isolated viruses, including mutational analyses with a special focus on drug-binding sites. Continuing dynamic mutation monitoring within the structural proteome presented here is essential to timely predict possible physiological changes in the evolving virus.
截至 2023 年 4 月，2022 年猴痘病毒爆发已涉及 110 个国家，确诊病例 86956 例，死亡 119 例。从分子水平上了解一种新发疾病对于研究感染过程并最终在早期指导药物发现至关重要。为此，我们提供了迄今为止最全面的猴痘病毒结构蛋白质组，其中包括 210 个结构模型，每个模型均使用三种最先进的结构预测方法进行计算。我们没有基于单个基因组序列来构建模型，而是从爆发后一年内从患者中采集的 3713 条高质量基因组序列的共识中生成了我们的模型。因此，我们展示了目前分离的病毒的平均结构蛋白质组，包括对药物结合位点的特殊关注的突变分析。继续对这里呈现的结构蛋白质组进行动态突变监测对于及时预测进化病毒中可能发生的生理变化至关重要。
