Tropical Journal of Pharmaceutical Research

Original Research Article | OPEN ACCESS

A network pharmacology-based investigation on the underlying mechanism of Huqian Wan against osteoporosis

Mengchuan Zhuo¹, Zhoufeng Song²

¹Department of Orthopedics, The 906th Hospital of Joint Logistics Support Force of Chinese Peopleâ€™s Liberation Army, No. 377 Zhongshan East Road, Ningbo, Zhejiang, 315040, China; ²Department of Orthopedics, The First Affiliated Hospital of Zhejiang Chinese Medical University (Zhejiang Provincial Hospital of Chinese Medicine), No. 54, Youdian Road, Hangzhou, Zhejiang, 310006, China.

For correspondence:- Zhoufeng Song Email: szfzjtcm@163.com

Accepted: 26 February 2023 Published: 31 March 2023

Citation: Zhuo M, Song Z. A network pharmacology-based investigation on the underlying mechanism of Huqian Wan against osteoporosis. Trop J Pharm Res 2023; 22(3):579-587 doi: 10.4314/tjpr.v22i3.15

© 2023 The authors.
This is an Open Access article that uses a funding model which does not charge readers or their institutions for access and distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0) and the Budapest Open Access Initiative (http://www.budapestopenaccessinitiative.org/read), which permit unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited..

Abstract

Purpose: To investigate the underlying molecular mechanism of Huqian Wan (HQW) in the treatment of osteoporosis (OP) using a network pharmacology-based strategy.

Methods: The bioactive components and their targets of HQW, as well as OP-related targets were identified using public databases, and online predictive tools. Functional enrichment analyses were performed using Metascape platform. Network construction and analysis were conducted using Cytoscape software, while molecular docking was performed to analyze molecular binding affinities using AutoDock software.

Results: A database retrieval identification of HQW contained 128 active components and 482 targets, 85 of which overlapped with OP-related genes and were considered potential targets for HQW treatment of OP. Protein interaction analysis revealed five key targets, including AKT1, IL6, VEGFA, IL1B, and CASP3. Functional annotation and pathways enrichment analyses showed that the 85 targets were significantly enriched in interleukin-related signal pathways, inflammatory response, and cell proliferation. Moreover, network topology analysis showed that quercetin, kaempferol, nobiletin, tetradecanoic acid, and palmitic acid are the most important 5 active components. Sankey diagram illustrated the herb-component-target connections in osteoclast differentiation and demonstrated that PPARG was the most affected target. Molecular docking revealed the potential binding pose and affinity between PPARG and active compounds.

Conclusion: This systemic characterization of the active components and molecular mechanisms of HQW's treatment of OP will drive subsequent mechanistic and clinical research, and provide a new approach to understanding the mechanism of complex traditional Chinese medicine (TCM).

Keywords: Huqian Wan, Osteoporosis, Network pharmacology, Molecular docking, osteoclast