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Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking

  • Authors:
    • Youhong Xie
    • Xuyao Qin
    • Tianyu Zhou
    • Yilin Zhou
    • Lin Tang
    • Jiangyan Wang
    • Zhongwei Lin
    • Qunwei Dong
    • Ping Sun
  • View Affiliations / Copyright

    Affiliations: Department of Endocrinology, The First Affiliated Hospital of Guangdong Pharmaceutical University, Guangzhou, Guangdong 510006, P.R. China, Department of Orthopedics, The First Affiliated Hospital of Guangdong Pharmaceutical University, Guangzhou, Guangdong 510006, P.R. China, Department of Cardiology, The First Affiliated Hospital of Guangdong Pharmaceutical University, Guangzhou, Guangdong 510006, P.R. China, Department of Orthopedics, Yunfu Hospital of Traditional Chinese Medicine, Yunfu, Guangdong 527300, P.R. China
    Copyright: © Xie et al. This is an open access article distributed under the terms of Creative Commons Attribution License.
  • Article Number: 417
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    Published online on: September 6, 2024
       https://doi.org/10.3892/etm.2024.12706
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Abstract

Loganin, a major iridoid glycoside derived from Cornus officinalis, exerts strong anti‑inflammatory property. The present study aimed to investigate the underlying mechanism of loganin to reduce estrogen deficiency‑induced bone loss through a combination of network pharmacology, molecular docking and in vivo validation. First, the drug targets and structural interactions of loganin with osteoclasts on postmenopausal osteoporosis (PMOP) were predicted through network pharmacology and molecular docking. An ovariectomized (OVX) mouse model was established to experimentally validate loganin's anti‑PMOP efficacy, supported by its protective effect on bone destruction and excessive inflammatory cytokines. The top 10 core targets of loganin generated by a protein‑protein interaction network were the following: GAPDH, VEGFA, EGFR, ESR1, HRAS, SRC, FGF2, HSP90AA1, PTGS2 and IL‑2. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses indicated that loganin suppressed PMOP via mediating inflammation, bone formation, IL‑17 signaling pathway and NF‑κB signaling pathway. Molecular docking results indicated strong binding between loganin and core targets, in which the binding energy was approximately ‑5.2 and ‑7.4 kcal/mol. In vivo mouse model revealed that loganin inhibited the expression of pro‑osteoclastic markers, such as tartrate‑resistant acid phosphatase, C‑terminal telopeptide, TNF‑α and IL‑6, enhanced the secretion of bone formation markers, such as procollagen type I intact n‑terminal pro‑peptide and IL‑10, and improved bone micro‑structure (bone volume/tissue volume and trabecular number), representative of the anti‑resorptive effect mediated by loganin. In summary, the present study combined network pharmacology and molecular docking to predict the underlying mechanism of loganin against PMOP, validated by the in vivo mouse model showing that loganin attenuated OVX‑induced bone loss by inhibiting inflammation.
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Copy and paste a formatted citation
Spandidos Publications style
Xie Y, Qin X, Zhou T, Zhou Y, Tang L, Wang J, Lin Z, Dong Q and Sun P: Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking. Exp Ther Med 28: 417, 2024.
APA
Xie, Y., Qin, X., Zhou, T., Zhou, Y., Tang, L., Wang, J. ... Sun, P. (2024). Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking. Experimental and Therapeutic Medicine, 28, 417. https://doi.org/10.3892/etm.2024.12706
MLA
Xie, Y., Qin, X., Zhou, T., Zhou, Y., Tang, L., Wang, J., Lin, Z., Dong, Q., Sun, P."Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking". Experimental and Therapeutic Medicine 28.5 (2024): 417.
Chicago
Xie, Y., Qin, X., Zhou, T., Zhou, Y., Tang, L., Wang, J., Lin, Z., Dong, Q., Sun, P."Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking". Experimental and Therapeutic Medicine 28, no. 5 (2024): 417. https://doi.org/10.3892/etm.2024.12706
Copy and paste a formatted citation
x
Spandidos Publications style
Xie Y, Qin X, Zhou T, Zhou Y, Tang L, Wang J, Lin Z, Dong Q and Sun P: Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking. Exp Ther Med 28: 417, 2024.
APA
Xie, Y., Qin, X., Zhou, T., Zhou, Y., Tang, L., Wang, J. ... Sun, P. (2024). Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking. Experimental and Therapeutic Medicine, 28, 417. https://doi.org/10.3892/etm.2024.12706
MLA
Xie, Y., Qin, X., Zhou, T., Zhou, Y., Tang, L., Wang, J., Lin, Z., Dong, Q., Sun, P."Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking". Experimental and Therapeutic Medicine 28.5 (2024): 417.
Chicago
Xie, Y., Qin, X., Zhou, T., Zhou, Y., Tang, L., Wang, J., Lin, Z., Dong, Q., Sun, P."Investigating the protective effect of loganin in ovariectomy‑induced bone loss through network pharmacology and molecular docking". Experimental and Therapeutic Medicine 28, no. 5 (2024): 417. https://doi.org/10.3892/etm.2024.12706
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