Nguyen Hien Thi, Do Van Mai, Phan Thanh Thuy, Nguyen Huynh Dung Tam
Faculty of Public Health, Can Tho University of Medicine and Pharmacy, Can Tho, Vietnam.
Faculty of Traditional Medicine, Can Tho University of Medicine and Pharmacy, Can Tho, Vietnam.
Bioinform Biol Insights. 2023 Jan 12;17:11779322221149622. doi: 10.1177/11779322221149622. eCollection 2023.
The current coronavirus disease 2019 (COVID-19) outbreak is alarmingly escalating and raises challenges in finding efficient compounds for treatment. Repurposing phytochemicals in herbs is an ideal and economical approach for screening potential herbal components against COVID-19. , also known as Chuan Xin Lian, has traditionally been used as an anti-inflammatory and antibacterial herb for centuries and has recently been classified as a promising herbal remedy for adjuvant therapy in treating respiratory diseases. This study aimed to screen Chuan Xin Lian's bioactive components and elicit the potential pharmacological mechanisms and plausible pathways for treating COVID-19 using network pharmacology combined with molecular docking. The results found terpenoid (andrographolide) and flavonoid (luteolin, quercetin, kaempferol, and wogonin) derivatives had remarkable potential against COVID-19 and sequelae owing to their high degrees in the component-target-pathway network and strong binding capacities in docking scores. In addition, the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis showed that the PI3K-AKT signaling pathway might be the most vital molecular pathway in the pathophysiology of COVID-19 and long-term sequelae whereby therapeutic strategies can intervene.
当前的2019冠状病毒病（COVID-19）疫情正惊人地升级，在寻找有效治疗化合物方面带来了挑战。重新利用草药中的植物化学物质是筛选针对COVID-19的潜在草药成分的理想且经济的方法。穿心莲，传统上几个世纪以来一直被用作抗炎和抗菌草药，最近被归类为治疗呼吸道疾病辅助治疗的有前景的草药疗法。本研究旨在通过网络药理学结合分子对接来筛选穿心莲的生物活性成分，并阐明其治疗COVID-19的潜在药理机制和合理途径。结果发现，萜类化合物（穿心莲内酯）和黄酮类化合物（木犀草素、槲皮素、山奈酚和汉黄芩素）衍生物由于在成分-靶点-途径网络中的高度参与以及对接分数中的强结合能力，对COVID-19及其后遗症具有显著潜力。此外，京都基因与基因组百科全书（KEGG）途径分析表明，PI3K-AKT信号通路可能是COVID-19病理生理学和长期后遗症中最重要的分子途径，治疗策略可以据此进行干预。
