摘要
背景:COVID-19 仍在全球范围内造成长期健康后果、大规模死亡和崩溃的医疗保健系统。没有有效的药物来治疗它。然而,先前的研究表明,SARS-CoV-2 和 SARS-CoV 在半胱氨酸蛋白酶 (3CLpro) 和木瓜蛋白酶样蛋白酶 (PLpro) 序列上分别具有 96% 和 86.5% 的相似性。这种相似性对于寻找对 SARS-CoV-2 具有抗病毒作用的候选药物可能很重要。 目的:本文汇编了抑制 SARS-CoV 3CLpro 和 PLpro 并同时减少炎症和/或调节免疫系统的天然产物,作为 COVID-19 药物发现的前景策略。它还介绍了使用 SARS-CoV-2 3CLpro 和 PLpro 作为目标对这些选定的天然产物进行的计算机研究,以提出一系列命中化合物。 方法:根据植物代谢物对 SARS-CoV 蛋白、炎症介质和免疫反应的生物学活性,在文献中选择植物代谢物。共识对接分析使用四个不同的包进行。 结果:文献中报道的对 SARS-CoV 蛋白具有抑制作用的 79 种化合物被报道为抗炎剂。其中 14 个在之前的研究中显示出免疫调节作用。其中五种和六种化合物显示出显着的计算机共识,分别作为可以抑制 PLpro 和 3CLpro 的候选药物。我们的研究结果证实了文献中关于抗 SARS-CoV-2 的最新结果。 结论:本研究表明,阿门黄酮、红木糖苷 B、savinin、补骨脂素、多毛酮和纸莎草酮 A 是寻找抗 COVID-19 抗生素的良好候选药物。
关键词: 天然产物、COVID-19、3CLpro 和 PLpro 抑制作用、抗炎作用、免疫调节作用、药物发现。
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