Molecular mechanism of tortoise plastron-deer horn couplet medicine in the treatment of osteoporosis based on network pharmacology approach

doi:10.3969/j.issn.2095-4344.2925

Abstract

Abstract:

BACKGROUND: The tortoise plastron-deer horn couplet medicine has been widely used as a classic drug matching formula for treatment of osteoporosis, but the pharmacology molecular mechanism remains unclear.

OBJECTIVE: To investigate the pharmacological molecular mechanism of tortoise plastron-deer horn couplet medicine for treatment of osteoporosis.

METHODS: The active compounds and targets of tortoise plastron-deer horn couplet medicine were obtained by using BATMAN-TCM, TCM-MESH and Chemistry Databases, as well as manual literature retrieval. The disease targets corresponding to osteoporosis were obtained by using Comparative Toxicogenomics Database and GeneCards databases. The protein-protein interaction network was constructed by STRING online database, analyzed and showed by the Cytoscape software. Gene ontology analysis of the targets was conducted by DAVID online tools. Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis was conducted by KOBAS. The enrichment results were obtained with a significant difference (P < 0.05). SwissDock was used for molecular docking verification of hub targets and active compounds.

RESULTS AND CONCLUSION: A total of 21 active ingredients (including aspartic acid and phenylalanine) and 183 targets of tortoise plastron-deer horn couplet medicine for treatment of osteoporosis were obtained. There was a close interaction among herb pairs, active compounds and targets. Ten hub targets, such as INS, ALB and TNF, were sorted. Hub targets were mainly enriched in 66 gene ontology processes, such as aging and drug reaction. KEGG analysis showed 27 enrichment pathways of the targets with significant difference. Molecular docking results showed that HUB gene INS and ALB could be effectively combined with their corresponding active compounds (INS: alanine, androgens; ALB: alanine). These findings preliminarily validate the major compounds, targets and pathways of tortoise plastron-deer horn couplet medicine for treatment of osteoporosis. The medicine-compounds-targets network is complicated. The mechanism may happen through multiple closed pathways including cell differentiation, inflammatory response and sex hormone regulation as well as regulating dynamic balance of bone repair and remodeling. It is worth further investigating for the mechanism of Chinese medicine treating diseases.

Key words: network pharmacology, tortoise plastron-deer horn couplet medicine, osteoporosis, hub target, molecular mechanism

CLC Number:

Li Shaoshuo, Gu Yidan, Yin Heng, Guo Yang, Ma Yong, Wang Jianwei. Molecular mechanism of tortoise plastron-deer horn couplet medicine in the treatment of osteoporosis based on network pharmacology approach[J]. Chinese Journal of Tissue Engineering Research, 2020, 24(35): 5668-5674.

Figures/Tables 7

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