摘要
背景:SARS-CoV-2 的流行使 COVID-19 对全世界的人类健康构成了严重威胁。 SARS-CoV-2 的严重感染通常伴随着更高的死亡率。尽管清肺排毒汤(QFPDD)已被证明可有效阻断 COVID-19 患者从轻度到重度的转变,但其作用机制仍不清楚。 目的:本研究旨在探讨 QFPDD 在阻断 COVID-19 患者从轻症期向重症期转变中的作用机制。 材料与方法:在筛选活性成分的过程中,口服生物利用度(OB)和药物相似性(DL)是关键指标,有助于筛选出关键化合物。因此,我们以OB≥30%和DL≥0.18为标准,以21种药材为关键词,在《中药系统药理学》(TCMSP,https://tcmspw.com/)中检索了QFPDD的有效成分。结果:我们采用生物信息学方法从QFPDD中筛选出6种关键成分,即槲皮素、木犀草素、黄连素、常春藤素、紫罗兰酮和山柰酚,它们可以抑制高表达基因(即CXCR4、ICAM1、CXCL8、CXCL10、IL6、IL2、 CCL2、IL1B、IL4、IFNG) 用于重症 COVID-19 患者。通过KEGG富集分析,我们发现了7条通路,分别是TNF信号通路、IL-17信号通路、Toll样受体信号通路、NFkappa B信号通路、HIF-1信号通路、JAK-STAT信号通路和Th17细胞分化,通过 QFPDD 可以阻止 COVID-19 患者从轻度到重度阶段的转变。 结论:QFPDD通过抑制SARS-CoV-2的侵袭和复制、抗炎和免疫调节、修复机体损伤等机制可以预防COVID-19的恶化。这些结果将有助于 COVID-19 的预防和治疗。
关键词: SARS-CoV-2、COVID-19、网络药理学、蛋白质-蛋白质相互作用、KEGG 通路、分子对接
图形摘要
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