弗洛斯
计算生物学
对接(动物)
2019年冠状病毒病(COVID-19)
木犀草素
虚拟筛选
药理学
生物
化学
药效团
医学
生物化学
槲皮素
护理部
疾病
芦丁
病理
传染病(医学专业)
抗氧化剂
作者
Yi–Sheng Huang,Yan Fu,Hongyu Jie,Huang‐Hao Yang,Wen Zhou,Yijian Chen,Baolin Zhong
标识
DOI:10.1080/14786419.2023.2260070
摘要
Using network pharmacology and molecular docking, we predicted the potential mechanisms of Lonicerae japonicae flos (LJF) therapy for COVID-19. A total of 493 component-related targets and 6,233 COVID-19-related genes were identified, and 267 core genes with overlapping of the two types of genes were identified. The target AKT1, CASP3, IL1B, IL6, PTGS2, TNF and JUN were the hub genes in PPI network according to MCODE score. Component-Target analysis showed the close relationship between targets and components. The results of functional enrichment analyses revealed that LJF exerted pharmacological effects on COVID-19 by regulating IL-17 signalling pathway, TNF signalling pathway, AGE-RAGE signalling pathway in diabetic complications, and Toll-like receptor signalling pathway. Finally, molecular docking confirmed a strong binding affinity between the 7 main active components with the hub genes. The findings suggested that beta-sitosterol, kaempferol and luteolin might be the promising leading components due to their good molecular docking scores.
科研通智能强力驱动
Strongly Powered by AbleSci AI