Exploration of the Molecular Mechanism of Polygonati Rhizoma in the Treatment of Osteoporosis Based on Network Pharmacology and Molecular Docking

Abstract

ObjectiveTo explore the effective components and mechanism of Polygonati Rhizoma (PR) in the treatment of osteoporosis (OP) based on network pharmacology and molecular docking methods.MethodsThe effective components and predicted targets of PR were obtained through the Traditional Chinese Medicine Systems Pharmacology and Analysis Platform (TCMSP) database. The disease database was used to screen the disease targets of OP. The obtained key targets were uploaded to the Search Tool for the Retrieval of Interacting Genes/Proteins (STRING) database for protein-protein interaction (PPI) network analysis. The Database for Annotation, Visualization, and Integrated Discovery (DAVID) was used for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses of key targets. Analysis and docking verification of chemical effective drug components and key targets were performed with IGEMDOCK software.ResultsA total of 12 chemically active components, 84 drug target proteins and 84 common targets related to drugs and OP were obtained. Key targets such as JUN, TP53, AKT1, ESR1, MAPK14, AR and CASP3 were identified through PPI network analysis. The results of enrichment analysis showed that the potential core drug components regulate the HIF-1 signaling pathway, PI3K-Akt signaling pathway, estrogen signaling pathway and other pathways by intervening in biological processes such as cell proliferation and apoptosis and estrogen response regulation, with an anti-OP pharmacological role. The results of molecular docking showed that the key targets in the regulatory network have high binding activity to related active components.ConclusionsPR may regulate OP by regulating core target genes, such as JUN, TP53, AKT1, ESR1, AR and CASP3, and acting on multiple key pathways, such as the HIF-1 signaling pathway, PI3K-Akt signaling pathway, and estrogen signaling pathway.

Compound-level identification of sasang constitution type-specific personalized herbal medicine using data science approach

“…Traditional Chinese Medicine Systems Pharmacology and Analysis Platform (TCMSP) ( https://old.tcmsp-e.com/tcmsp.php ), a database containing information on 499 herbs and 29,384 compounds, was used to extract compound information for each herb [ 10 ]. TCMSP was selected because the number of compounds included in the database has a greater advantage than other databases.…”

Application of UPLC-Q-TOF-MS with chemometric analysis and network pharmacology for comparison of different species: Paeonia lactiflora Pall. as an example

“…The six core targets were enriched and located on the enriched pathway, especially for the proteoglycans in cancer, chemical carcinogenesis-receptor activation, Rap1 signaling pathway, and estrogen signaling pathway, which played an important role in inhibiting apoptosis, regulating oxygen homeostasis, maintaining basic cellular functions, and participating in the processes of oxidative stress, inflammation, T-cell differentiation, and mucus secretion. [57][58][59][60][61][62][63][64][65] The relevant content was readily available in the Table S1 (ESI †). Therefore, the six core targets were selected for subsequent molecular docking studies.…”

Combination of PolygonatumRhizoma and Scutellaria baicalensis triggers apoptosis through downregulation of PON3‐induced mitochondrial damage and endoplasmic reticulum stress in A549 cells

“…At the same time, it treats osteoporosis, diabetes, and lung disease. [3][4][5] Scutellaria baicalensis (SB) is a traditional Chinese medicine (TCM) widely used in clinical practice. According to "Shennong's Classic of Materia Medica," it is an herb of the genus Scutellaria and is used as a medicine by its roots.…”

“…Polygonatum Rhizoma (PR) is a perennial herb of the genus, first published in the ancient Chinese book “The Book of Famous Doctors.” 2 It is mainly for lung‐dryness with nonproductive cough and body deficiency. At the same time, it treats osteoporosis, diabetes, and lung disease 3–5 . Scutellaria baicalensis (SB) is a traditional Chinese medicine (TCM) widely used in clinical practice.…”