■双黄连(SHL)口服液是中国著名的用于呼吸道感染的中药制剂。然而,潜在的药理机制仍不清楚.本研究旨在基于网络药理学研究SHL口服液潜在的药理机制。
■基于网络药理学的策略,包括收集和分析推定的化合物和靶基因,网络建设,京都基因和基因组百科全书(KEGG)途径,和基因本体论(GO)富集,关键化合物和靶基因的鉴定,和分子对接在这项研究中进行。
■收集SHL口服液的总共82种生物活性化合物和226种推定的靶基因。值得注意的是,28个枢纽靶基因,包括4个主要枢纽靶基因:雌激素受体1(ESR1),核受体共激活因子2(NCOA2),核受体共激活因子1(NCOA1),雄激素受体(AR)和5个关键化合物(槲皮素,木犀草素,黄芩素,山奈酚和汉黄宁)是基于网络分析鉴定的。hub靶基因主要富集在PI3K-Akt信号通路,人巨细胞病毒感染,和人乳头瘤病毒感染,这可能是SHL口服液治疗疾病的潜在药理机制。此外,关键化合物与主要hub靶基因有很好的分子对接结合亲和力。
■使用网络药理学分析,SHL口服液被发现含有抗病毒,抗炎,和具有治疗作用的“多化合物和多靶点”。这些发现为进一步的临床应用和研究提供了有价值的方向。
UNASSIGNED: 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.
UNASSIGNED: 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.
UNASSIGNED: 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.
UNASSIGNED: 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.