Molecular Mechanism of Jinchan Oral Liquid in the Treatment of Children with Respiratory Syncytial Virus Pneumonia Based on Network Pharmacology and Molecular Docking Technology

Abstract

Objective. Exploration of the underlying molecular mechanism of Jinchan Oral Liquid (JOL) in treating children with the respiratory syncytial virus (RSV) pneumonia to provide new evidence for the clinical application. Methods. The active components and target genes of JOL were screened by the TCMSP database. The targets of RSV pneumonia were obtained from the GeneCards, OMIM, DrugBank, and PharmGKB database. Then, we constructed the active component-target network and screened the core genes. The overlaps were screened for PPI network analysis, GO analysis, and KEGG analysis. Finally, result validation was performed by molecular docking. Results. According to the screening criteria of the ADME, 74 active compounds of JOL were obtained; after removing redundant targets, we selected 180 potential targets. By screening the online database, 893 RSV pneumonia-related targets were obtained. A total of 82 overlapping genes were chosen by looking for the intersection. The STRING online database was used to acquire PPI relationships, and 16 core genes were obtained. GO and KEGG analyses showed that the main pathways of JOL in treating RSV pneumonia include TNF signaling pathway and IL17 signaling pathway. The molecular docking results showed that the active compounds of JOL had a good affinity with the core genes. Conclusion. In this study, we preliminarily discussed the main active ingredients, related targets, and pathways of JOL and predicted the pharmacodynamic basis and the potential therapeutic mechanisms of RSV pneumonia. In summary, the network pharmacology strategy may be helpful for the discovery of multitarget drugs against complex diseases.

Clinical manifestations of respiratory syncytial virus infection and the risk of wheezing and recurrent wheezing illness: a systematic review and meta-analysis

“…The detection rate of RSV in children with wheezing illnesses in Suzhou, China, was 22% and reached 42.4% at the peak of the RSV epidemic [ 32 ]. Another study found that RSV accounted for 67.4% of the detected viruses in children with wheezing illness, ranking first among the detected pathogens [ 33 ]. RSV infection was also associated with recurrent wheezing after infant bronchiolitis [ 34 ].…”

An Evaluation of the Novel Biological Properties of Diterpenes Isolated from Plectranthus ornatus Codd. In Vitro and In Silico

“…In addition, Prathap et al revealed that stachydrine, a pyrrolidine betaine, binds IL-6 and inhibits it, with a binding energy of −5.9 kcal/mol and hydrogen bonding with GLU: 42 [ 77 ]. Docking another phytocompound, the flavonoid quercetin, with IL-8 a binding energy of −7.9 kcal/mol was reported [ 78 ]. The docking energy score of stachydrine with TNF-α is −6.8 and hydrogen bonding with ARG: 332, ARG: 372 and VAL: 373 was observed [ 77 ].…”