背景:COVID-19大流行正在全球范围内寻找可以对抗这种疾病的化合物,主要是由于死亡率。有了这个目标,许多研究人员投资于天然来源药物的发现和开发。为了协助这项搜索,计算工具减少整个过程的时间和成本的潜力是众所周知的。
目标:因此,本综述旨在确定这些工具如何帮助鉴定抗SARS-CoV-2的天然产物.
结果:为此,与科学文章进行了文献综述与这个建议,在那里可以观察到不同类别的主要和,主要是,次生代谢物针对不同的分子靶标进行评估,主要是酶和尖峰,使用计算技术,强调分子对接的使用。
结论:然而,值得注意的是,计算机评估仍然对鉴定抗SARS-CoV-2物质有很大贡献,由于天然产物的巨大化学多样性,识别和使用不同的分子靶标和计算的进步。
The COVID-19 pandemic is raising a worldwide search for compounds that could act against the disease, mainly due to its mortality. With this objective, many researchers invested in the discovery and development of drugs of natural origin. To assist in this search, the potential of computational tools to reduce the time and cost of the entire process is known. Thus, this
review aimed to identify how these tools have helped in the identification of natural products against SARS-CoV-2. For this purpose, a literature
review was carried out with scientific articles with this proposal where it was possible to observe that different classes of primary and, mainly, secondary metabolites were evaluated against different molecular targets, mostly being enzymes and spike, using computational techniques, with emphasis on the use of molecular docking. However, it is noted that in silico evaluations still have much to contribute to the identification of an anti- SARS-CoV-2 substance, due to the vast chemical diversity of natural products, identification and use of different molecular targets and computational advancement.