Network pharmacology-based prediction of efficacy and mechanism of Myrrha acting on Allergic Rhinitis

Article information

J Korean Med. 2024;45(1):113-124

Publication date (electronic) : 2024 March 1

doi : https://doi.org/10.13048/jkm.24007

Yebin Lim ¹^,^a

, Bitna Kweon ¹^,²^,^a

, Dong-Uk Kim ¹

, Gi-Sang Bae ¹^,²^,³^,

¹Department of Pharmacology, School of Korean Medicine, Wonkwang University

²Hanbang Cardio-Renal Syndrome Research Center, Wonkwang University

³Research center of Traditional Korean medicine, Wonkwang University

Correspondence to: Gi-Sang Bae, Department of Pharmacology, School of Korean Medicine, Wonkwang University, 460 Iksandae-ro, Iksan, 54538 Jeonbuk, South Korea, Tel: +82-63-850-6842, E-mail: baegs888@wku.ac.kr

Equally contributed

Received 2024 January 15; Revised 2024 February 7; Accepted 2024 February 16.

Abstract

Objectives

Network pharmacology is an analysis method that explores drug-centered efficacy and mechanism by constructing a compound-target-disease network based on system biology, and is attracting attention as a methodology for studying herbal medicine that has the characteristics for multi-compound therapeutics. Thus, we investigated the potential functions and pathways of Myrrha on Allergic Rhinitis (AR) via network pharmacology analysis and molecular docking.

Methods

Using public databases and PubChem database, compounds of Myrrha and their target genes were collected. The putative target genes of Myrrha and known target genes of AR were compared and found the correlation. Then, the network was constructed using STRING database, and functional enrichment analysis was conducted based on the Gene Ontology (GO) Biological process and Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathways. Binding-Docking stimulation was performed using CB-Dock.

Results

The result showed that total 3 compounds and 55 related genes were gathered from Myrrha. 33 genes were interacted with AR gene set, suggesting that the effects of Myrrha are closely related to AR. Target genes of Myrrha are considerably associated with various pathways including ‘Fc epsilon RI signaling pathway’ and ‘JAK-STAT signaling pathway’. As a result of blinding docking, AKT1, which is involved in both mechanisms, had high binding energies for abietic acid and dehydroabietic acid, which are components of Myrrha.

Conclusion

Through a network pharmacological method, Myrrha was predicted to have high relevance with AR by regulating AKT1. This study could be used as a basis for studying therapeutic effects of Myrrha on AR.

Keywords: Myrrha; Allergic Rhinitis (AR); Network pharmacology; Molecular docking

Fig. 1

(A) Network of Myrrha with 55nodes and 478edges. (B) Veen-diagram of intersection targets between Myrrha network and gene sets of Allergic Rhinitis (AR). (C) Network of intersection targets of Myrrha and AR.

Fig. 2

GO biological process analysis of the intersection targets.

Fig. 3

KEGG pathway analysis of the intersection targets.

Fig. 4

The herb, compound, target and pathway network of Myrrha in the treatment of AR

Fig. 5

Molecular docking Diagrams show the interaction of AA with (A)AKT1, (B)IL6 and DA with (C)AKT1

Table 1

List of Compounds from Myrrha

Table 2

List of the common genes of Myrrha and Allergic Rhinitis (AR) gene set

Table 3

Molecular docking results for core bioactive components of Myrrha and the corresponding target proteins

Supplementary Information

jkm-45-1-113-Supplementary-Fig-1,2.pdf

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