Exploring the pathogenesis of postmenopausal osteoporosis and predicting traditional Chinese medicine prescriptions based on reverse network pharmacology
10.3969/j.issn.1673-9701.2024.27.019
- VernacularTitle:基于逆向网络药理学探讨绝经后骨质疏松病机及中药组方预测
- Author:
Daidai WU
1
;
Yuehan NI
;
Wanghuan ZHAO
;
Xuqi SUN
Author Information
1. 余姚市中医医院中医内科,浙江余姚 315400
- Keywords:
Reverse network pharmacology;
Postmenopausal osteoporosis;
Pathogenesis;
Molecular docking;
Chinese medicine formulation
- From:
China Modern Doctor
2024;62(27):84-90,94
- CountryChina
- Language:Chinese
-
Abstract:
Objective To discuss the pathogenesis of postmenopausal osteoporosis,and to validate molecular docking and predict the composition of traditional Chinese medicine based on reverse network pharmacological.Methods The shared targets of"osteoporosis"and"postmenopausal"were extracted and demonstrated by using Venn diagram.The common targets were analyzed for gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment.The protein-protein interaction(PPI)network was constructed to clarify the pathogenesis,pathways and key targets of postmenopausal osteoporosis,and finally the key target-active ingredient-traditional Chinese medicine network was constructed,and the characteristics,taste and tropism of traditional Chinese medicines with high identification values were sorted out.Results For postmenopausal osteoporosis,17 key targets of which degree value ≥ 10 that could match with traditional Chinese medicines were analysis in traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),and the results of 18 times of molecular docking tests were stable and good which performed on the highest degree value 3 targets with 6 traditional Chinese medicines components(degree value≥5,oral bioavailability≥30％,drug likeness≥0.18).Collected 52 kinds of traditional Chinese medicines(degree value ≥4)were mainly cold and bitter,belonging to liver and lung channels in channel tropism,promoting blood circulation and removing blood stasis in efficacy from 300 kinds of traditional Chinese medicines.Conclusion In this study,the targets,pathways,compositions and prescriptions were predicted for postmenopausal osteoporosis based on reverse network pharmacological and molecular docking.However,the thinking be broadening for the formulation of traditional Chinese medicine which appropriately added bitter cold drugs、drugs entering liver and lung channels,blood-activating and blood-stasis removing drugs and high-value Chinese medicines such as Ginkgo biloba,Cuscuta,Cauleratholoba,Licorice and Astragalus to improve joint inflammation,inhibit osteoclast differentiation,promote osteoblast differentiation and prevent osteoporosis for the treatment of postmenopausal osteoporosis.
