In Silico Analysis of Honeybee Venom Protein Interaction with Wild Type and Mutant (A82V + P375S) Ebola Virus Spike Protein

M. Muzammal, Muzammil Ahmad Khan, M. A. Mohaini, A. Alsalman, M. A. A. Hawaj, A. Farid
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引用次数: 6

Abstract

Venom from different organisms was used in ancient times to treat a wide range of diseases, and to combat a variety of enveloped and non-enveloped viruses. The aim of this in silico research was to investigate the impact of honeybee venom proteins and peptides against Ebola virus. In the current in silico study, different online and offline tools were used. RaptorX (protein 3D modeling) and PatchDock (protein–protein docking) were used as online tools, while Chimera and LigPlot + v2.1 were used for visualizing protein–protein interactions. We screened nine venom proteins and peptides against the normal Ebola virus spike protein and found that melittin, MCD and phospholipase A2 showed a strong interaction. We then screened these peptides and proteins against mutated strains of Ebola virus and found that the enzyme phospholipase A2 showed a strong interaction. According to the findings, phospholipase A2 found in honeybee venom may be an effective source of antiviral therapy against the deadly Ebola virus. Although the antiviral potency of phospholipase A2 has been recorded previously, this is the first in silico analysis of honeybee phospholipase A2 against the Ebola viral spike protein and its more lethal mutant strain.
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蜂毒蛋白与野生型和突变型(A82V + P375S)埃博拉病毒刺突蛋白相互作用的计算机分析
来自不同生物体的毒液在古代被用于治疗各种疾病,并对抗各种包膜和非包膜病毒。这项计算机研究的目的是研究蜂毒蛋白和肽对埃博拉病毒的影响。在当前的计算机研究中,使用了不同的在线和离线工具。RaptorX(蛋白质3D建模)和PatchDock(蛋白质-蛋白质对接)被用作在线工具,而Chimera和LigPlot+v2.1被用于可视化蛋白质-蛋白质相互作用。我们筛选了9种针对正常埃博拉病毒刺突蛋白的毒液蛋白和肽,发现蜂毒肽、MCD和磷脂酶A2表现出强烈的相互作用。然后,我们针对埃博拉病毒的突变株筛选了这些肽和蛋白质,发现磷脂酶A2表现出强烈的相互作用。根据研究结果,在蜂毒中发现的磷脂酶A2可能是对抗致命埃博拉病毒的抗病毒治疗的有效来源。尽管先前已经记录了磷脂酶A2的抗病毒效力,但这是首次对蜜蜂磷脂酶A2对抗埃博拉病毒刺突蛋白及其更致命的突变株进行计算机分析。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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