Network pharmacology for the identification of phytochemicals in traditional Chinese medicine for COVID-19 that may regulate interleukin-6

© 2021 The Author(s)..

OBJECTIVE: ´Three formulas and three medicines,' namely, Jinhua Qinggan Granule, Lianhua Qingwen Capsule, Xuebijing Injection, Qingfei Paidu Decoction, HuaShi BaiDu Formula, and XuanFei BaiDu Granule, were proven to be effective for coronavirus disease 2019 (COVID-19) treatment. The present study aimed to identify the active chemical constituents of this traditional Chinese medicine (TCM) and investigate their mechanisms through interleukin-6 (IL-6) integrating network pharmacological approaches.

METHODS: We collected the compounds from all herbal ingredients of the previously mentioned TCM, but those that could down-regulate IL-6 were screened through the network pharmacology approach. Then, we modeled molecular docking to evaluate the binding affinity between compounds and IL-6. Furthermore, we analyzed the biological processes and pathways of compounds. Finally, we screened out the core genes of compounds through the construction of the protein-protein interaction network and the excavation of gene clusters of compounds.

RESULTS: The network pharmacology research showed that TCM could decrease IL-6 using several compounds, such as quercetin, ursolic acid, luteolin, and rutin. Molecular docking results showed that the molecular binding affinity with IL-6 of all compounds except γ-aminobutyric acid was < -5.0 kJ/mol, indicating the potential of numerous active compounds in TCM to directly interact with IL-6, leading to an anti-inflammation effect. Finally, Cytoscape 3.7.2 was used to topologize the biological processes and pathways of compounds, revealing potential mechanisms for COVID-19 treatment.

CONCLUSION: These results indicated the positive effect of TCM on the prevention and rehabilitation of COVID-19 in at-risk people. Quercetin, ursolic acid, luteolin, and rutin could inhibit COVID-19 by down-regulating IL-6.

Errataetall:

ErratumIn: Biosci Rep. 2021 Feb 26;41(2):. - PMID 33620080

Medienart:

E-Artikel

Erscheinungsjahr:

2021

Erschienen:

2021

Enthalten in:

Zur Gesamtaufnahme - volume:41

Enthalten in:

Bioscience reports - 41(2021), 1 vom: 29. Jan.

Sprache:

Englisch

Beteiligte Personen:

Niu, Wen-Hao [VerfasserIn]
Wu, Feng [VerfasserIn]
Cao, Wen-Yue [VerfasserIn]
Wu, Zong-Gui [VerfasserIn]
Chao, Yu-Chieh [VerfasserIn]
Liang, Chun [VerfasserIn]

Links:

Volltext

Themen:

5G06TVY3R7
9IKM0I5T1E
Anti-Inflammatory Agents
Coronavirus disease 2019
Drugs, Chinese Herbal
Interleukin-6
Journal Article
KUX1ZNC9J2
Luteolin
Quercetin
Research Support, Non-U.S. Gov't
Rutin
Traditional Chinese medicine
Triterpenes

Anmerkungen:

Date Completed 05.02.2021

Date Revised 13.12.2023

published: Print

ErratumIn: Biosci Rep. 2021 Feb 26;41(2):. - PMID 33620080

Citation Status MEDLINE

doi:

10.1042/BSR20202583

funding:

Förderinstitution / Projekttitel:

PPN (Katalog-ID):

NLM317149016