Can network pharmacology identify the anti-virus and anti- inflammatory activities of Shuanghuanglian oral liquid used in Chinese medicine for respiratory tract infection?

Zhenjie Zhuang; Junmao Wen; Lu Zhang; Mingjia Zhang; Xiaoying Zhong; Huiqi Chen; Chuanjin Luo

doi:10.1016/j.eujim.2020.101139

Can network pharmacology identify the anti-virus and anti- inflammatory activities of Shuanghuanglian oral liquid used in Chinese medicine for respiratory tract infection?

Eur J Integr Med. 2020 Aug:37:101139. doi: 10.1016/j.eujim.2020.101139. Epub 2020 May 26.

Authors

Zhenjie Zhuang¹, Junmao Wen¹, Lu Zhang¹, Mingjia Zhang¹, Xiaoying Zhong¹, Huiqi Chen¹, Chuanjin Luo²

Affiliations

¹ Guangzhou University of Chinese Medicine, Guangzhou, China.
² The First Affiliated Hospital of Guangdong University of Chinese Medicine, No.12, Airport Road, Baiyun District, Guangzhou 510405, China.

Abstract

Introduction: Shuanghuanglian (SHL) oral liquid is a well-known traditional Chinese medicine preparation administered for respiratory tract infections in China. However, the underlying pharmacological mechanisms remain unclear. The present study aims to determine the potential pharmacological mechanisms of SHL oral liquid based on network pharmacology.

Methods: Network pharmacology-based strategy including collection and analysis of putative compounds and target genes, network construction, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway, and Gene Ontology (GO) enrichment, identification of key compounds and target genes, and molecule docking was performed in this study.

Results: A total of 82 bioactive compounds and 226 putative target genes of SHL oral liquid were collected. Of note, 28 hub target genes including 4 major hub target genes: estrogen receptor 1 (ESR1), nuclear receptor coactivator 2 (NCOA2), nuclear receptor coactivator 1 (NCOA1), androgen receptor (AR) and 5 key compounds (quercetin, luteolin, baicalein, kaempferol and wogonin) were identified based on network analysis. The hub target genes mainly enriched in pathways including PI3K-Akt signaling pathway, human cytomegalovirus infection, and human papillomavirus infection, which could be the underlying pharmacological mechanisms of SHL oral liquid for treating diseases. Moreover, the key compounds had great molecule docking binding affinity with the major hub target genes.

Conclusion: Using network pharmacology analysis, SHL oral liquid was found to contain anti-virus, anti-inflammatory, and "multi-compounds and multi-targets" with therapeutic actions. These findings may provide a valuable direction for further clinical application and research.

Keywords: AM, alveolar macrophages; AR, androgen receptor; CAS, Chemical abstracts service number; CFDA, The China Food and Drug Administration; COX, cyclooxygenases; COX-2, cyclooxygenase; DL, drug-likeness; ESR1, estrogen receptor 1; Flos Lonicerae; Fructus Forsythiae; GO, Gene Ontology; HCMV, Human cytomegalovirus; HCV, human cytomegalovirus; HPV, Human papillomavirus; HQ, Huangqin, Radix Scutellariae; JYH, Jinyinhua, Flos Lonicerae; KEGG, Kyoto Encyclopedia of Genes and Genomes; LQ, Lianqiao, Fructus Forsythiae; MCP, monocyte chemoattractant protein; NCOA1, nuclear receptor coactivator 1; NCOA2, nuclear receptor coactivator 2; NO, nitric oxide; Network pharmacology; OB, oral bioavailability; PG, prostaglandin; Pharmacological mechanism; ROS, reactive oxygen species; RSV, respiratory syncytial virus; Radix Scutellariae; Respiratory tract infection; SARS-CoV, severe acute respiratory syndrome coronavirus; SHL oral liquid, Shuanghuanglian oral liquid; SMILES, Simplified molecular input line entry specification; Shuanghuanglian oral liquid; TCM, traditional Chinese medicine; TCMSP, Traditional Chinese Medicine Systems Pharmacology database.