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  4. Vol 5, Issue 5, 2023

Study on Molecular Mechanism of Tongqi No.1 Prescription for Tubal Obstructive Infertility Based on Network Pharmacology and Molecular Docking

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DOI: 10.23977/medcm.2023.050512 | Downloads: 9 | Views: 402

Author(s)

Xi Wang 1, Xiaomao Liu 2

Affiliation(s)

1 Shaanxi University of Chinese Medicine, Xianyang, Shaanxi, 712046, China
2 Yulin Hospital of Traditional Chinese Medicine affiliated to Shaanxi University of Chinese Medicine, Yulin, Shaanxi, 719051, China

Corresponding Author

Xiaomao Liu

ABSTRACT

In order to investigate the mechanism of action of Tongqi No. 1 Formula in the treatment of tubal obstructive infertility, a network pharmacology method was used to analyze the active ingredients and drug targets of Tongqi No. 1 Formula, and the disease targets of tubal obstructive infertility, respectively. The drug targets, disease targets, and active ingredient were then analyzed, and the results were finally validated by using molecular docking methods. It was found that 61 drug active ingredients and 215 drug targets were obtained in Tongqi No. 1 Formula. The GeneCards database, the OMIM database combined with the DRUGBANK database, was merged and duplicate values were removed, resulting in 1382 disease targets and 119 drug-disease intersecting genes. GO enrichment revealed that Tongqi No. 1 Formula has biological functions such as response to steroid hormones, regulation of apoptotic signaling pathway, positive regulation of cell death, response to growth factors, and response to estradiol. After KEGG pathway enrichment analysis, the main pathways involved are NF-KB, JAK-STAT, p13k-AKT, MAPK, etc. Molecular docking results showed that tanshinone IIA stably docked into the active pocket of AKT1 protein structure 4EJN, and the two were hydrogen bonded through amino acid residues ASN53, ASN51, VAL-271, VAL-270, SER-205, and GLN-203. The present study initially revealed that the treatment of tubal obstruction infertility with "Tongqi No. 1 Formula" is carried out through multiple components, multiple targets and multiple pathways, which provides a basis for further research.

KEYWORDS

Network pharmacology; Molecular docking; Tongqi No.1 formula; Tubal obstructive infertility; Mechanism of action

CITE THIS PAPER

Xi Wang, Xiaomao Liu, Study on Molecular Mechanism of Tongqi No.1 Prescription for Tubal Obstructive Infertility Based on Network Pharmacology and Molecular Docking. MEDS Chinese Medicine (2023) Vol. 5: 82-96. DOI: http://dx.doi.org/10.23977/medcm.2023.050512.

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