Natural Product Communications最新文献

{"title":"The Acetylated 2,3,5,4′-Tetrahydroxystilbene-2-O-β- <scp>d</scp> -Glucoside Improved Pharmacokinetics and Enhanced Anti-Osteoporosis Effects","authors":"Jing Wang, Yuqian Yang, Wenxin Wei, Xingyu Li, Feng Liu, Jianshu Liu, Wei Lan, Feng Gao, Hong Wang, Peifeng Wei","doi":"10.1177/1934578x241296419","DOIUrl":"https://doi.org/10.1177/1934578x241296419","url":null,"abstract":"Background: Osteoporosis has emerged as a significant global public health concern, predominantly affecting postmenopausal women. Its pathogenesis is intricate and the disease course is protracted, imposing substantial medical burden on both society and individuals. Objective: To investigate the effects of 2,3,5,4′-tetrahydroxystilbene-2-O-β-d-glucoside (TSG) and acetylated-TSG (Ac-TSG) on osteoblast viability, in vivo pharmacokinetics in rats and anti-osteoporotic effects in ovariectomized rat model. Methods: Ac-TSG was obtained by acetylation of TSG, and the purity and structure of Ac-TSG were determined by HPLC and 1 H NMR. The effects of TSG and Ac-TSG on MC3T3-E1 cell viability, pharmacokinetics in rats, blood biochemical indexes of OVX model rats were detected. Hematoxylin–eosin (HE) staining was used to observe bone tissue morphology, tartrate-resistant acid phosphatase (TRAP) staining was used to observe osteoclast morphology, micro-CT was used to perform three-dimensional reconstruction of femur, and femur parameters were analyzed. Results: The structure of the compound is Ac-TSG and the purity is more than 98%. Both TSG and Ac-TSG could reduce the damage of oxidative stress to MC3T3-E1 cells and effectively improve the levels of Ca, P, ALP and BGP in serum of OVX rats. Compared with TSG, Ac-TSG has a longer action time in vivo and can improve the femoral structure, the number of trabecular bone and the number of osteoclasts in rats. Conclusion: Ac-TSG conferred protection to MC3T3-E1 cells against oxidative stress-induced damage and enhanced their bioavailability. Simultaneously, Ac-TSG ameliorated abnormal bone metabolism and mitigated bone microstructural changes in OVX rats, exhibiting a protective effect against osteoporosis.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"19 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147877688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects and Mechanisms of Andrographolide for COVID-19: A Network Pharmacology-Based and Experimentally Validated Study","authors":"Jingyi Zhang, Hongmei Lü, Yongdui Ruan, Shiyi Huang, Siying Deng, Yinuo Wang, Qing Li, Zuguo Zhao, Long Feng, Wentao Guo","doi":"10.1177/1934578x241288428","DOIUrl":"https://doi.org/10.1177/1934578x241288428","url":null,"abstract":"Objective: This study aimed to elucidate the therapeutic effects and underlying mechanisms of andrographolide against COVID-19 through a network pharmacology approach and experimental validation. Methods: Network pharmacology approaches were employed to elucidate potential targets of andrographolide, investigating their overlap with proteins implicated in SARS-CoV-2 infection. The identified targets underwent further analysis through protein-protein interaction (PPI) mapping, gene ontology (GO) categorization, and pathway enrichment within the framework of the Kyoto Encyclopedia of Genes and Genomes (KEGG). Subsequent molecular docking studies provided insights into the binding dynamics between andrographolide and the relevant protein targets. To validate these findings, a series of experimental procedures were conducted, including cytotoxicity assays, quantitative PCR analyses, and the deployment of a SARS-CoV-2 pseudovirus system, using BEAS-2B lung epithelial cells as a model. Results: Bioinformatics analysis revealed that andrographolide potentially modulates proinflammatory cytokines, JAK-STAT signaling, and antiviral immunity pathways in COVID-19. Molecular docking showed favorable binding interactions between andrographolide and its putative targets. In vitro studies confirmed that andrographolide suppressed the mRNA expression of IL-6, TNF-α, IL-1β, and STAT3 and inhibited pseudovirus entry and infection at pharmacologically relevant concentrations. Conclusion: The findings suggest that andrographolide could be a promising candidate for the treatment of COVID-19 due to its capacity to both inhibit SARS-CoV-2 and modulate harmful inflammation. Our findings highlight the potential therapeutic value of andrographolide in treating COVID-19, warranting further exploration in clinical trials.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"19 10","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147895816","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"UJI AKTIVITAS PENGHAMBATAN XANTIN OKSIDASE TERHADAP EKSTRAK ETANOL UMBI LOBAK (Raphanus sativus L.) SECARA IN VITRO","authors":"DWI ISRANANDA","doi":"10.33096/mnpj.v2i3.154","DOIUrl":"https://doi.org/10.33096/mnpj.v2i3.154","url":null,"abstract":"Radish plants contain chemicals, namely saponins, alkaloids, gibberellink, glucosinloates, polysaccharides, tannins and flavonoids.Radish tubers are known to contain many secondary metabolites which have potential as xanthine oxidase inhibitors.The purpose of this study was to determine the inhibitory activity of xanthine oxidase against radish tuber ethanol extract based on the IC50 value.This study began with the preparation of samples by maceration using 96% ethanol and then testing the inhibition of xanthine oxidase enzyme activity.Inhibitory activity testing was carried out in three groups, namely the blank group, the allopurinol control group, and the extract test solution group (concentrations 100 g/L, 200 g/L, 400 g/L, 800 g/L, 1600 g/L).This test was carried out using a Microplate reader which was measured at a wavelength of 570 nm.The results showed that the IC50 value of allopurinol comparator was 15.402, while the IC50 value of horseradish root ethanol extract was 3607.848g/L.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"1 1","pages":"176-185"},"PeriodicalIF":0.0,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://journal.farmasi.umi.ac.id/index.php/mnpj/article/download/154/132","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147900614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Influence of Weather Conditions on the Immortelle Volatile Constituents from Essential oil and Hydrosol with a Focus on Italidiones and Its Molecular Docking Anti-Inflammatory Potential","authors":"Milica Aćimović, Jovana Stanković Jeremić, Marina Todosijević, Mirjana Cvetković, Biljana Lončar, Vladimir Vukić, Tamara Erceg, Lato Pezo, Valtcho D. Zheljazkov","doi":"10.1177/1934578x241284735","DOIUrl":"https://doi.org/10.1177/1934578x241284735","url":null,"abstract":"ObjectivesImmortelle has garnered global attention for its cosmetic, medicinal, and culinary applications worldwide. Apart from neryl acetate, α-pinene and γ-curcumene as the most important components for the estimation of the essential oil quality, in recent years a group of β-diketones, known as italidiones, appear as significant quality parameters. However, it is unknown how weather conditions (temperature and precipitation) influence their accumulation in essential oil and hydrosol, nor their anti-inflammatory potential.MethodsThis study investigates the chemical composition of immortelle essential oil and hydrosol over three successive years (2019/20, 2020/21, and 2021/22), by GC-FID and GC-MS analysis. In silico molecular docking model with Vascular Adhesion Protein-1 (VAP-1) was used for the simulation of the anti-inflammatory potential of italidiones, as well as other β-diketones present in immortelle essential oil and hydrosol.ResultsDuring the three-year trial, it was established that essential oil compounds such as α-pinene, neryl acetate, and italicene were positively correlated with temperature and negatively correlated with precipitation, as well as β-diketones and total italidiones. Moreover, trans-caryophyllene, γ-curcumene, and ar-curcumene were in negative correlation with temperature, and a slight positive correlation with precipitation. On the other side, in the hydrosol the content of both total β-diketones and total italidiones was strongly negatively correlated with temperatures, and positively correlated with precipitation, which was the opposite of essential oil. Additionally, findings indicated that italidiones could bind the human VAP-1 protein in the vicinity of the topiquinone and block its function.ConclusionWeather conditions affect variations in the accumulation of volatile compounds in essential oil and hydrosol, which in some cases can affect changes in olfactory characteristics, as well as criteria prescribed by standards, and even changes in biological activities. These results indicate that italidiones, as well as other β-diketones present in immortelle, may be responsible for its anti-inflammatory activity.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"49 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142249262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the Mechanism of Huoxiang Zhengqi Oral Liquid Against Mosquito Bite Dermatitis Through Network Pharmacology and in Vitro Validation","authors":"Kunqin Ma, Xu Xu, Shengdong Wang, Chang Liu, Liping Liu","doi":"10.1177/1934578x241264621","DOIUrl":"https://doi.org/10.1177/1934578x241264621","url":null,"abstract":"Objective: Traditional Chinese patent medicine Huoxiang Zhengqi Oral Liquid (HXZQOL) can be used topical to treat mosquito bite dermatitis (MBD). The study aimed to explore the potential mechanism of HXZQOL in treatment of MBD based on network pharmacology and experimental validation. Methods: TCMSP, SwissTargetPrediction and PubChem database were used to predict the active compounds and targets of HXZQOL and GeneCards database was utilized to predict the potential targets of MBD. Target interaction analysis was performed using Venn database, PPI and core targets were assessed using String database, and Cytoscape. Enrichment analysis on Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways were performed using David online tool. “HXZQOL-compound-target-pathway-MBD” networks were constructed using Cytoscape. Molecular docking was carried out with Autodock vina. The inflammation model of HaCaT cells induced by TNF-a/IFN-γ was established .to validate the mechanism of HXZQOL against MBD, with the levels of inflammatory factors and protein related to IL-7 signaling pathway assessed using Elisa and Western Blot. Results: HXZQOL contained 154 active compounds and shared 88 common targets with MBD. Quercetin, apigenin, ursolic acid and luteolin were identified as potential candidate compounds, while JUN, IL-6, TNF and VEGFA were suggested as main potential targets. HXZQOL was found to act on MBD through multiple pathways including IL-17, AGE-RAGE and TNF signaling pathways. The candidate compounds demonstrated effectively binding to JUN and IL-6 targets, with binding energies below −5 kcal/mol. Western blot experiments confirmed that these compounds could down-regulate the expression of JUN protein in IL-17 signaling pathway, and significantly reduce levels of inflammatory factors TNF-α, IL-6 and NO in HaCaT cells. Conclusion: HXZQOL mainly exerts its anti MAD effect by reducing inflammation. The relevant results have laid the foundation for improving the local anti MBD effect of HXZQOL and the secondary development of HXZQOL formulations.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"65 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142249212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Astragalus Injection Enhances the Sensitivity of Clinical Cancer Patients to Chemotherapy: A Systematic meta-Analysis","authors":"Tingjie Ye, Xiaofeng Yan, Wenhao Xiu, Changtai Qin, Yuxi Yang, Jinzu Yang, Limin Zhu, Xiaoling Wang, Wei Xu, Yanlin Lu","doi":"10.1177/1934578x241276966","DOIUrl":"https://doi.org/10.1177/1934578x241276966","url":null,"abstract":"BackgroundTraditional Chinese Medicine Astragalus was commonly used to assist chemo-drug treatment in clinical cancer patients. However, whether Astragalus injection (AGI) reverses drug resistance remains unclear. Therefore, a meta-analysis is necessary to assess the effect of AGI on resistance reversement in cancer patients.MethodThe studies presenting tumor response rates in cancer patients receiving chemo-drugs treatment in combination with AGI were systematically searched from six common scientific databases until February 2024. The relative risks (RRs) indicating the tumor response rate, 1-year survival rate, and quality of life improvement in clinical patients among two groups were calculated in metan package. The pooled RRs with 95% confidence intervals (CIs) were used to explore the effect of AGI on enhancing drug sensitivity in terms of tumor response, 1-year survival rate and quality of life improvement in cancer patients.ResultFifty-one studies were included for meta-analysis following a thorough screening process that adhered to the inclusion and exclusion criteria. A total of 4613 patients were enrolled in all included trials. Results obtained indicated that AGI significantly enhanced the sensitivity of cancers to chemo-drugs with pooled RRs (95% CI) of 1.25 (1.18, 1.32), prolonged the 1-year survival rate of patients with pooled RRs (95% CI) of 1.34 (1.14, 1.57), improved the quality of life with pooled RRs (95% CI) of 1.61 (1.34, 1.93). Similarly, Astragalus's main component, astragaloside polysaccharides (APS), also enhances drug sensitivity in clinical cancer patients.ConclusionOur findings demonstrated that AGI had the ability to resensitize cancers to chemo-drugs and improve the quality of life of cancer patients. Therefore, AGI could potentially be used as a drug resistance reversal for resistant cancer treatment.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"75 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142249213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Medicinal Plants as Effective Antiviral Agents and Their Potential Benefits","authors":"Gabriel Atampugbire, Eureka Emefa Ahadjie Adomako, Osbourne Quaye","doi":"10.1177/1934578x241282923","DOIUrl":"https://doi.org/10.1177/1934578x241282923","url":null,"abstract":"This paper explores a diverse field of medicinal plants as potential antiviral agents, and delves into utilization of plant medicine for combating viral infections, emphasizing recent surge in research on natural products from plants as antiviral agents. Specific plant-derived compounds, like phyllanthin and iscador, have been proven to exhibit antiviral properties with great potential for pharmaceutical development. Mechanisms of antiviral action by phytochemicals that are present in medicinal plants, including direct viral inhibition, degradation of viral capsid, and immunomodulation were identified, and a combination therapy of medicinal plants with conventional antiviral drugs were explored. Efficacy of medicinal plants as antiviral agents was critically assessed and revealed that the complexity and variability of herbal formulations, and safety concerns regarding toxicity levels, pose challenges in drug development. However, research on medicinal plants is often hindered by limited understanding of phytochemical mechanisms, the complexity and variability of herbal formulations, and safety concerns regarding toxicity and interactions with other medications. The way forward in harnessing full potential of medicinal plants as antiviral agents underscores the need for further research into developing models that seek to enhance the selectivity of plant extracts in order to minimize toxicity levels.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"195 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142249256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the Effects of Different Processing Techniques on the Antitussive Expectorant of Platycodon grandiflorus by Metabonomics and Pharmacologic Methods","authors":"Shuting Zhao, Jingying Xv, Miaomiao Tang, Wei Hou","doi":"10.1177/1934578x241284430","DOIUrl":"https://doi.org/10.1177/1934578x241284430","url":null,"abstract":"Background and PurposePlatycodon grandiflorum is a traditional Chinese herbal medicine, which can disperse lung, promote pharynx, dispel phlegm and expel pus. Its processing history was first seen in the “Zhou Hou Bei Ji Fang” of the Jin Dynasty in China. Through processing, effective substances in plants can be enriched and negative substances can be reduced. Therefore, this study explored the effects of different processing methods on the antitussive and expectorant effects of Platycodon grandiflorum through metabolomics and pharmacology, aiming to provide a theoretical basis for clinical application.Experimental ApproachThe changes of metabolites before and after processing of Platycodon grandiflorum were analyzed by Nexera UHPLC LC-30A-HILIC-Orbitrap-Q Exactive HF-X platform. The antitussive and expectorant effects of processed Platycodon grandiflorum were verified by mouse concentrated ammonia induced cough method and tracheal phenol red drainage method.Key ResultsAfter processing, some metabolites of Platycodon grandiflorum changed, among which 24 kinds of terpenoid metabolites changed significantly. Through the experiment of ammonia-induced cough in mice and phenol red expectorant experiment, it was found that fresh JZI 40%, fresh CZ 80%, dry JZZ 40% and dry JZI 80% had obvious antitussive effect, and dry JZZ 40% had obvious expectorant effect.Conclusions and ImplicationsSome processing methods can indeed further improve the antitussive and expectorant effects of Platycodon grandiflorum, which may be due to the effect of increasing the content of triterpenoids after processing, but the mechanism of processing to improve the effect of relieving cough and expectorant needs further study.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"53 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142249261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"NingXueShengBan Decoction Regulates Immune Homeostasis by PI3 K/Akt/mTOR and TLR4/NF-κB Signaling Pathways in Immune Thrombocytopenia Patients","authors":"Haijin Wang, Mengxiao Wang, Wuxia Yang, Runfeng Ni, Lin Ma, Dan Wang, Chao Yan, Yuhong Wu, Baoshan Liu, Aidi Wang","doi":"10.1177/1934578x241276960","DOIUrl":"https://doi.org/10.1177/1934578x241276960","url":null,"abstract":"ObjectiveImmune thrombocytopenia (ITP) is an autoimmune hemorrhagic disease. The immune imbalance of T cells is an essential pathological mechanism of ITP, more specific, the balance of Effector T cells (Teff)/Regulatory T cell (Treg) maintains T cell immune homeostasis. Dendritic cells (DC), the largest antigen-presenting cell, interfere with T cell differentiation pathways and exert immune regulatory functions. Our team created and applied the “ NingXueShengBan” (NXSB) decoction. According to our prior studies, we found that NXSB decoction could restore Th17/Treg balance in ITP mice by regulating protein expression in Notch pathway. Therefore, we further research the mechanism of NXSB decoction that regulates ITP immune homeostasis through affecting the interaction between DC and T cells.MethodsIn this study, we collected peripheral blood from health donors and ITP patients and extracted DC and CD4 <jats:sup>+ </jats:sup>T cells then grouped in control group, model group and NXSB group. Moreover, we established a co-culture model simulating the immune environment in ITP patient to further investigate whether NXSB had therapeutic effects by the interaction between DC and CD4 <jats:sup>+ </jats:sup>T cells.ResultsIn the current study, we found that NXSB decoction potently regulated interaction between DC and T cells by inhibiting DC development and function, specifically, the differentiation of CD4<jats:sup>+</jats:sup> T cells was inhibited after NXSB decoction intervened. Our data showed that NXSB decoction inhibited Toll-like receptor 4 (TLR-4), reduced the expression of Nuclear factor kappa-B (NF-κB) and led to the reduction of downstream inflammatory factors, thereby inhibiting the inflammatory response. More importantly, NXSB decoction reduced the DC surface expression of activation and maturation markers. Moreover, we detected that the decreased expression of the phosphorylated Phosphatidylinositol 3-kinase (PI3 K), Protein kinase B (Akt), Mammalian target of rapamycin (mTOR), and their downstream effectors indicated, we found that NXSB decoction could inhibit PI3 K/Akt/mTOR signaling pathways significantly.ConclusionsCollectively, our data suggested that NXSB decoction ameliorates ITP-induced immune imbalance via its anti-inflammation and immunosuppressive by regulating TLR-4/ NF-κB and PI3 K/Akt/mTOR signaling pathways.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"39 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142249257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"To Explore the Rule and Mechanism of Traditional Chinese Medicine in the Treatment of Postmenopausal Osteoporosis Based on Data Mining, Network Pharmacology and Molecular Docking Technology","authors":"Hao Zeng, Keqi Huang, Yuan Chai, Hua Liu, Yongjin Li, Zhengpeng Li, Xiaoyun Zhang","doi":"10.1177/1934578x241281303","DOIUrl":"https://doi.org/10.1177/1934578x241281303","url":null,"abstract":"Postmenopausal osteoporosis (PMOP) is an important part of primary osteoporosis, and the current clinical treatment program for PMOP is easily limited by side effects and adverse reactions, so it is particularly important to seek more efficient, safe, and economical drug treatment for PMOP. In recent years, with the change of disease treatment mode and the gradual deepening of Traditional Chinese medicine (TCM) research on PMOP, a review of the literature reveals that there is a huge number of studies on the use of TCM in the treatment of PMOP, but there are no relevant systematic studies on the rules of its formulas and the specific mechanisms by which the core drugs exert their therapeutic effects. Therefore, in this study, we collected a total of 141 formulas used by TCM clinicians to treat PMOP, statistically analyzed their high-frequency medications, Four Qi, Five Flavors, meridians, and efficacies, and analyzed the core medications based on the association rules, which were Rehmanniae Radix Praeparata, Epimedium, Eucommia ulmoides, Rhizoma Drynariae, Angelica sinensis, Achyranthes, Astragalus propinquus, Psoralen, Cornus officinalis and licorice. A total of 87 drug pairs were obtained from the correlation analysis, and a total of 8 groups of potential core combination drugs and 4 potential new prescriptions were derived based on the cluster analysis. Subsequently, a network pharmacological analysis of the core drugs was conducted to obtain 173 active ingredients in the core drugs, including kaempferol, β-sitosterol, quercetin, etc. 298 targets of action, including MAPK3, STAT1, HSP90AA1, etc. 170 signaling pathways including AGE-RAGE, PI3 K/Akt, TNF, HIF-1 and others. The molecular docking results showed that 11 key active ingredients in the core drugs had stable binding to the target targets. This study showed that TCM treatment of PMOP is mainly based on “reinforcing liver and kidney, warmly invigorating spleen and stomach, activating blood and resolving stasis.” Core drugs therapy for PMOP is a comprehensive intervention through multi-component, multi-target, and multi-pathway approaches. The minimum binding energies between the 11 key active ingredients and the 11 key targets were calculated in a comprehensive analysis, which shows that the core drugs have good binding activities to their therapeutic targets, proving that the predictions of this study are reliable. In the future, it will provide certain medication basis and data support for TCM treatment of PMOP.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"1 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142249259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}