Exploration of the characteristic and molecular mechanism of Chinese herbal medicines in the core formula for COVID-19’s cases based on data mining and network pharmacology
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Exploration of the characteristic and molecular mechanism of Chinese herbal medicines in the core formula for COVID-19’s cases based on data mining and network pharmacology
Shanghai Journal of Traditional Chinese MedicineVol. 54, Issue 7, Pages: 13-19(2020)
WANG Xueying, XU Jiahui, XUE Yan, et al. Exploration of the characteristic and molecular mechanism of Chinese herbal medicines in the core formula for COVID-19’s cases based on data mining and network pharmacology. [J]. Shanghai Journal of Traditional Chinese Medicine 54(7):13-19(2020)
DOI:
WANG Xueying, XU Jiahui, XUE Yan, et al. Exploration of the characteristic and molecular mechanism of Chinese herbal medicines in the core formula for COVID-19’s cases based on data mining and network pharmacology. [J]. Shanghai Journal of Traditional Chinese Medicine 54(7):13-19(2020) DOI: 10.16305/j.1007-1334.2020.07.098.
Exploration of the characteristic and molecular mechanism of Chinese herbal medicines in the core formula for COVID-19’s cases based on data mining and network pharmacology
Objective:To explore the clinical value and molecular mechanism of the core formula for novel coronavirus’s pneumonia (COVID-19) based on data mining and network pharmacology. MethodsWith the help of the Cloud Platform of Ancient and Modern Medical Records (V2.2.1), the published prescriptions of Chinese herbal medicines for COVID-19 were recorded, the statistics of syndrome patterns and the analysis of four qi and five flavors of traditional Chinese medicine were carried out, the rules of medication were excavated, and thus the core formula was preliminarily obtained. Then the active components and action targets of the core formula were searched by Traditional Chinese Medicine System Pharmacology Analysis Platform (TCMSP). The disease targets were screened by GeneCards and other databases, and the active component-target network and PPI protein interaction network were constructed by Cytoscape 3.7.2 software.After GO function analysis and KEGG pathway enrichment analysis of the target through DAVID database, the core formula was further refined and simplified. Finally, Autodockvina was used for molecular docking, preliminary screening and further verification of the core chemical composition set of Chinese herbal medicines used in core cases bound to the key target of COVID-19. Results:①A total of 38 clinical cases were obtained, and 77 prescriptions were collected, involving 164 Chinese herbal medicines. The four qi of the herbs are mostly cold, warm and mild, and the five flavors of the herbs are mostly bitter, pungent and sweet, which mainly belong to lung, stomach and spleen channels. Fourteen core formulae had obtained from 77 prescriptions, which include Houpu(Cortex Magnoliae Officinalis), Caodoukou(Semen Alpiniae Katsumadai), Gancao(Radix Glycyrrhizae), Jiegeng(Radix Platycodi), Chaihu(Radix Bupleuri), Kuxingren(Semen Armeniacae Amarum), Huangqin(Radix Scutellariae), Chenpi(Pericarpium Citri Reticula), Fuling(Poria), Lianqiao(Fructus Forsythiae), Banxia(Rhizoma Pinelliae), Guanghuoxiang(Herba Pogostemonis). ②There are 87 active components in the core formula, which can act on covid-19 through 56 potential targets. ③A total of 1 522 bioprocess entries and 161 KEGG pathways in GO were obtained by enrichment analysis(P<0.05). As a result, the formula was simplified and the herbs were retained such as Caodoukou(Semen Alpiniae Katsumadai), Chaihu(Radix Bupleuri), Guanghuoxiang(Herba Pogostemonis), Lianqiao(Fructus Forsythiae), Jiegeng(Radix Platycodi), Huangqin(Radix Scutellariae), Chenpi(Pericarpium Citri Reticula)as the final core formula. It involves anti-inflammatory, anti-oxidation, anti-fibrosis, inhibition of apoptosis, inhibition of virus replication and other processes. Conclusion:The core formula for the clinical cases of COVID-19 belongs to the combination of cold, warm and mild in nature, mainly acting in lung, stomach and spleen channels. It mainly regulates key targets such as IL-6, MAPK1, MAPK8, CASP3, IL-1B, RELA, MAPK14, MAPK3, PTGS2, CCL2, FOS and regulates signal pathways such as MAPK, NFkB, TNF, IL-17 to treat COVID-19.
关键词
新型冠状病毒新型冠状病毒肺炎中药网络药理学分子机制多靶点古今医案云平台(V2.2.1)
Keywords
SARS-CoV-2COVID-19Chinese medicinenetwork pharmacologymolecular mechanismmultiple targetscloud platform of ancient and modern medical records (V2.2.1)
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