Show simple item record

Network Pharmacology and Molecular Docking Elucidate the Underlying Pharmacological Mechanisms of the Herb in Treating Pneumonia Caused by SARS-CoV-2.

dc.contributor.authorLiu, Junying
dc.contributor.authorYuan, Shouli
dc.contributor.authorYao, Yao
dc.contributor.authorWang, Jinfan
dc.contributor.authorScalabrino, Gaia
dc.contributor.authorJiang, Shibo
dc.contributor.authorSheridan, Helen
dc.date.accessioned2024-07-10T16:16:46Z
dc.date.available2024-07-10T16:16:46Z
dc.date.issued2022-07-21
dc.identifier.pmid35891565
dc.identifier.doi10.3390/v14071588
dc.identifier.urihttp://hdl.handle.net/10147/642077
dc.descriptionUsed in Asian countries, including China, Japan, and Thailand, Houttuynia cordata Thumb (H. cordata; Saururaceae, HC) is a traditional herbal medicine that possesses favorable antiviral properties. As a potent folk therapy used to treat pulmonary infections, further research is required to fully elucidate the mechanisms of its pharmacological activities and explore its therapeutic potential for treating pneumonia caused by SARS-CoV-2. This study explores the pharmacological mechanism of HC on pneumonia using a network pharmacological approach combined with reprocessing expression profiling by high-throughput sequencing to demonstrate the therapeutic mechanisms of HC for treating pneumonia at a systemic level. The integration of these analyses suggested that target factors are involved in four signaling pathways, including PI3K-Akt, Jak-STAT, MAPK, and NF-kB. Molecular docking and molecular dynamics simulation were applied to verify these results, indicating a stable combination between four metabolites (Afzelin, Apigenin, Kaempferol, Quercetin) and six targets (DPP4, ELANE, HSP90AA1, IL6, MAPK1, SERPINE1). These natural metabolites have also been reported to bind with ACE2 and 3CLpro of SARS-CoV-2, respectively. The data suggest that HC exerts collective therapeutic effects against pneumonia caused by SARS-CoV-2 and provides a theoretical basis for further study of the active drug-like ingredients and mechanism of HC in treating pneumonia.en_US
dc.language.isoenen_US
dc.rightsAttribution 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.subjectHouttuynia cordataen_US
dc.subjectMAPK1en_US
dc.subjectSARS-CoV-2en_US
dc.subjectafzelinen_US
dc.subjectmolecular dockingen_US
dc.subjectnetwork pharmacologyen_US
dc.subjectPNEUMONIAen_US
dc.titleNetwork Pharmacology and Molecular Docking Elucidate the Underlying Pharmacological Mechanisms of the Herb in Treating Pneumonia Caused by SARS-CoV-2.en_US
dc.typeArticleen_US
dc.typeOtheren_US
dc.identifier.eissn1999-4915
dc.identifier.journalVirusesen_US
dc.source.journaltitleViruses
dc.source.volume14
dc.source.issue7
refterms.dateFOA2024-07-10T16:16:49Z
dc.source.countryUnited Kingdom
dc.source.countryUnited Kingdom
dc.source.countrySwitzerland


Files in this item

Thumbnail
Name:
viruses-14-01588.pdf
Size:
8.487Mb
Format:
PDF
Download

This item appears in the following Collection(s)

Show simple item record

Attribution 4.0 International
Except where otherwise noted, this item's license is described as Attribution 4.0 International