• Title/Summary/Keyword: Network pharmacological analysis

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Identifying the Anti-Cancer Effect of Indigo Naturalis in Small Cell Lung Cancer Based on Network Pharmacological Analysis (네트워크 약리학적 분석에 의한 소세포폐암에 대한 청대의 항암기전 연구)

  • Young Hoon, Kim;Woo Jin, Jeong;Gwang Hee, Jeong;Youn Sook, Kim;Won Gun, An
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.36 no.6
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    • pp.229-234
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    • 2022
  • Lung cancer is the leading cause of cancer-related deaths worldwide. Indigo Naturalis (IN) is a dark blue powder obtained by processing leaves or stems of indigo plants, its anticancer effects have been reported in several studies. However, the pharmacological mechanism of IN in small cell lung cancer (SCLC) is not elucidated. In this study, to investigate the anticancer efficacy of IN for SCLC, we presented potential active ingredients, SCLC-related targets, and pharmacological mechanisms of IN that are expected to have anticancer activity for SCLC using a network pharmacological analysis. The phytochemical compounds of IN have been collected through TCMSP, SymMap, or HPLC documents. The active ingredients of IN such as indirubin, indican, isatin, and tryptanthrin were selected through ADME parameters or literature investigations for each compound. Using the Compounds, Disease-Target associations Databases, 124 common targets of IN and SCLC were obtained. Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathway enrichment analysis was carried out. GO biological processes are associated with response to xenobiotic stimulus, positive regulation of protein phosphorylation, regulation of mitotic cell cycle, and regulation of apoptotic signaling pathway. KEGG disease pathways included Gastric cancer, Bladder cancer, SCLC, and Melanoma. The main anticancer targets of the IN for SCLC were analyzed in 14 targets, including BCL2, MYC, and TP53. In conclusion, the results of this study based on the network pharmacology of IN can provide important data for the effective prevention and treatment of SCLC.

Pharmacological Systemic Analysis of Curcumae Radix in Lipid Metabolism (시스템 분석을 통한 지질대사에서 울금의 약리작용)

  • Jo, Han Byeol;Kim, Ji Young;Kim, Min Sung;An, Won Gun;Lee, Jang-Cheon
    • Herbal Formula Science
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    • v.26 no.3
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    • pp.237-250
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    • 2018
  • Objectives : This study is a pharmacological network approach, aimed to identify the potential active compounds contained in Curcumae Radix, and their associated targets, to predict the various bio-reactions involved, and finally to establish the cornerstone for the deep-depth study of the representative mechanisms. Methods : The active compounds of Curcumae Radix have been identified using Traditional Chinese Medicine System Pharmacology Database and Analysis Platform. The UniProt database was used to collect each of information of all target proteins associated with the active compounds. To find the bio-metabolic processes associated with each target, the DAVID6.8 Gene Functional classifier tool was used. Compound-Target and Target-Pathway networks were analyzed via Cytoscape 3.40. Results : The target information from 32 potential active compounds of Curcumae Radix was collected through TCMSP analysis. The active compounds interact with 133 target genes engaging in total of 885 biological pathways. The most relevant pathway was the lipid-related metabolism, in which 3 representative active compounds were naringenin, oleic acid, and ${\beta}-sitosterol$. The mostly targeted proteins in the lipid pathway were ApoB, AKT1 and PPAR. Conclusions : The pharmacological network analysis is convenient approach to predict the overall metabolic mechanisms in medicinal herb research, which can reduce the processes of various experimental trial and error and provide key clues that can be used to validate and experimentally verify the core compounds.

Systems Pharmacological Approach to Identification of Schizonepeta teunifolia Extract via Active Ingredients Analysis and Cytotoxicity Effect on A549 Cell Lines (형개 추출물의 시스템 약리학적 분석과 비소세포폐암세포에 대한 증식 억제효과)

  • Ga Ram Yang;Ji Eun Choo;Youn Sook Kim;Won Gun Ahn
    • Korean Journal of Acupuncture
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    • v.41 no.1
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    • pp.7-15
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    • 2024
  • Objectives : This study aimed to predict the effectiveness and potential of Schizonepeta tenuifolia as an anticancer treatment for non-small cell lung cancer through network-based pharmacology and cellular experiment. Methods : To identify the major bioactive compounds in Schizonepeta tenuifolia, we used the Traditional Chinese Medicine Systems. The target genes for the cancer treatment were selected using the UniProt database and the networked using Cytoscape. We performed functional enrichment analysis based on the Gene Ontology Biological Process and Kyoto Encyclopedia of Genes and Genomes Pathways to predict the mechanisms. To investigate the effect of Schizonepeta tenuifolia on lung cancer cell growth, we treated A549 cells, a lung cancer cell line, with different concentrations of the drug and used the MTT assay for cell viability. Results : Research has shown that the most effective mechanism of active compounds from Schizonepeta tenuifolia is through the pathway of cancer. The results of the network pharmacology analysis indicate that Schizonepeta tenuifolia has potential medicinal value as an adjuvant in anticancer treatment. The concentration-dependent inhibition of cell viability was observed on A549 cells. Furthermore, synergistic anticancer activity with Doxorubicin was also observed. Conclusions : Through a network pharmacological approach, Schizonepeta tenuifolia was predicted to have potential as an anticancer agent, and its efficacy was experimentally demonstrated using A549 cells. These findings suggest that Schizonepeta tenuifolia is a promising candidate for future research.

Comparison of network pharmacology based analysis on White Ginseng and Red Ginseng (인삼(人蔘)과 홍삼(紅蔘)의 네트워크 약리학적 분석 결과 비교)

  • Park, Sohyun;Lee, Byoungho;Jin, Myungho;Cho, Suin
    • Herbal Formula Science
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    • v.28 no.3
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    • pp.243-254
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    • 2020
  • Objectives : Network pharmacology analysis is commonly used to investigate the synergies and potential mechanisms of multiple compounds by analyzing complex, multi-layered networks. We used TCMSP and BATMAN-TCM databases to compare results of network pharmacological analysis between White Ginseng(WG) and Red Ginseng(RG). Methods : WG and RG were compared with components and their target molecules using TCMSP database, and compound-target-pathway/disease networks were compared using BATMAN-TCM database. Results : Through TCMSP, 104 kinds of target molecules were derived from WG and 38 kinds were derived from RG. Using the BATMAN-TCM database, target pathways and diseases were screened, and more target pathways and diseases were screened compared to RG due to the high composition of WG ingredients. Analysis of component-target-pathway/disease network using network analysis tools provided by BATMAN-TCM showed that WG formed more networks than RG. Conclusions : Network pharmacology analysis can be effectively performed using various databases used in system biology research, and although the materials that have been reported in the past can be used efficiently for research on diseases related to targets, the results are unreliable if prior studies are focused on limited or narrow research areas.

Systems Pharmacological Analysis of Dichroae Radix in Anti-Tumor Metastasis Activity (시스템 약리학적 분석에 의한 상산의 암전이 억제 효과)

  • Jee Ye Lee;Ah Yeon Shin;Hak Koon Kim;Won Gun An
    • Herbal Formula Science
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    • v.31 no.4
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    • pp.295-313
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    • 2023
  • Objectives : While treatments for cancer are advancing, the development of effective treatments for cancer metastasis, the main cause of cancer patient death, remains insufficient. Recent studies on Dichroae Radix have revealed that its active ingredients have the potential to inhibit cancer metastasis. This study aimed to investigate the cancer metastasis inhibitory effect of Dichroae Radix using network pharmacological analysis. Methods : The active compounds of Dichroae Radix have been identified using Traditional Chinese Medicine System Pharmacology Database and Analysis Platform. The UniProt database was used to collect each of information of all target proteins associated with the active compounds. To find the bio-metabolic processes associated with each target, the DAVID6.8 Gene Functional classifier tool was used. Compound-Target and Target-Pathway networks were analyzed via Cytoscape 3.40. Results : In total, 25 active compounds and their 62 non-redundant targets were selected through the TCMSP database and analysis platform. The target genes underwent gene ontology and pathway enrichment analysis. The gene list applied to the gene ontology analysis revealed associations with various biological processes, including signal transduction, chemical synaptic transmission, G-protein-coupled receptor signaling pathways, response to xenobiotic stimulus, and response to drugs, among others. A total of eleven genes, including HSP90AB1, CALM1, F2, AR, PAKACA, PTGS2, NOS2, RXRA, ESR1, ESR2, and NCOA1, were found to be associated with biological pathways related to cancer metastasis. Furthermore, nineteen of the active compounds from Dichroae Radix were confirmed to interact with these genes. Conclusions : The results provide valuable insights into the mechanism of action and molecular targets of Dichroae Radix. Notably, Berberine, the main active ingredient of Dichroae Radix, plays a significant role in degrading AR proteins in advanced prostate cancer. Further studies and validations can provide crucial data to advance cancer metastasis prevention and treatment strategies.

Pharmacological and non-pharmacological strategies for preventing postherpetic neuralgia: a systematic review and network meta-analysis

  • Kim, Junhyeok;Kim, Min Kyoung;Choi, Geun Joo;Shin, Hwa Yong;Kim, Beom Gyu;Kang, Hyun
    • The Korean Journal of Pain
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    • v.34 no.4
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    • pp.509-533
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    • 2021
  • Background: Postherpetic neuralgia (PHN) is a refractory complication of herpes zoster (HZ). To prevent PHN, various strategies have been aggressively adopted. However, the efficacy of these strategies remains controversial. Therefore, we aimed to estimate the relative efficacy of various strategies used in clinical practice for preventing PHN using a network meta-analysis (NMA). Methods: We performed a systematic and comprehensive search to identify all randomized controlled trials. The primary outcome was the incidence of PHN at 3 months after acute HZ. We performed both frequentist and Bayesian NMA and used the surface under the cumulative ranking curve (SUCRA) values to rank the interventions evaluated. Results: In total, 39 studies were included in the systematic review and NMA. According to the SUCRA value, the incidence of PHN was lower in the order of continuous epidural block with local anesthetics and steroids (EPI-LSE), antiviral agents with subcutaneous injection of local anesthetics and steroids (AV + sLS), antiviral agents with intracutaenous injection of local anesthetics and steroids (AV + iLS) at 3 months after acute HZ. EPI-LSE, AV + sLS and AV + iLS were also effective in preventing PHN at 1 month after acute HZ. And paravertebral block combined with antiviral and antiepileptic agents was effective in preventing PHN at 1, 3, and 6 months. Conclusions: The continuous epidural block with local anesthetics and steroid, antiviral agents with intracutaneous or subcutaneous injection of local anesthetics and a steroid, and paravertebral block combined with antiviral and antiepileptic agents are effective in preventing PHN.

Analysis of experimental studies on Insamyangyoung-tang (인삼양영탕을 이용한 실험연구 분석)

  • Choi, Song Ie;Kim, Yun Hee;Lee, Hye Won
    • Journal of Society of Preventive Korean Medicine
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    • v.19 no.2
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    • pp.145-157
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    • 2015
  • Objective : This study aimed to analyze a comprehensive feature of experimental research on Insamyangyoungtang and develop a strategy that can be used for experimental studies on Insamyangyoung-tang in the future. Method : The journal search was performed using six databases : PubMed, Chinese database (China Network Knowledge Infrastructure, [CNKI]), Japan database (Japan Science and Technology Information Aggregator, Electronic, [J-STAGE]) and three Korean databases (Oriental Medicine Advanced Searching Integrated System [OASIS], Research Information Service System [RISS], and Korean Studies Information Service System [KISS]). We used limited keywords and analyzed studies by publication year, experimental models, and the subjects of biological activities. The mechanism of pharmacological activity in accordance with the therapeutic effects of Insamyangyoung-tang was noted. Results and Conclusion : A total of 43 studies (6 domestic studies and 37 foreign ones) were examined according to the inclusion criteria of the experimental study. Research on the pharmacological activities of Insamyangyoung-tang showed its therapeutic effects on the nervous and immune systems, as well as its anti-aging, anti-fatigue, and hematopoietic effects. Additional efficacy and safety assessments and experimental and clinical studies should be performed to evaluate the mechanism of Insamyangyoung-tang. The present review has provided preliminary information for further studies on Insamyangyoung-tang.

Analysis of the Active Compounds and Therapeutic Mechanisms of Yijin-tang on Meniere's Disease Using Network Pharmacology(I) (네트워크 약리학을 활용한 메니에르병에 대한 이진탕(二陳湯)의 활성 성분과 치료 기전 연구(I))

  • SunKyung Jin;Hae-Jeong Nam
    • The Journal of Korean Medicine Ophthalmology and Otolaryngology and Dermatology
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    • v.36 no.1
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    • pp.50-63
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    • 2023
  • Objectives : This study used a network pharmacology approach to explore the active compounds and therapeutic mechanisms of Yijin-tang on Meniere's disease. Methods : The active compounds of Yijin-tang were screened via the TCMSP database and their target proteins were screened via the STITCH database. The GeneCard was used to establish the Meniere's disease-related genes. The intersection targets were obtained through Venny 2.1.0. The related protein interaction network was constructed with the STRING database, and topology analysis was performed through CytoNCA. GO biological function analysis and KEGG enrichment analysis for core targets were performed through the ClueGO. Results : Network analysis identified 126 compounds in five herbal medicines of Yijin-tang. Among them, 15 compounds(naringenin, beta-sitosterol, stigmasterol, baicalein, baicalin, calycosin, dihydrocapsaicin, formononetin, glabridin, isorhamnetin, kaempferol, mairin, quercetin, sitosterol, nobiletin) were the key chemicals. The target proteins were 119, and 7 proteins(TNF, CASP9, PARP1, CCL2, CFTR, NOS2, NOS1) were linked to Meniere's disease-related genes. Core genes in this network were TNF, CASP9, and NOS2. GO/KEGG pathway analysis results indicate that these targets are primarily involved in regulating biological processes, such as excitotoxicity, oxidative stress, and apoptosis. Conclusion : Pharmacological network analysis can help to explain the applicability of Yijin-tang on Meniere's disease.

Network pharmacoligical analysis for selection between Saposhnikoviae Radix and Glehniae Radix focusing on ischemic stroke (방풍(防風)과 해방풍(海防風) 중 뇌경색 연구에 더욱 적합한 약재 선정을 위한 네트워크 약리학적 분석)

  • Jin Yejin;Lim Sehyun;Cho Suin
    • Herbal Formula Science
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    • v.31 no.3
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    • pp.171-182
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    • 2023
  • Objectives : Saposhnikoviae Radix (SR) and Glehniae Radix (GR) have been frequently used in traditional medicine to treat diseases related to 'wind' syndrome, but there have been cases where it has been mixed in a state where the plant of origin is not clear. In this study, to select materials for conducting preclinical cerebral infarction research, the network pharmacology analysis method was used to select suitable medicinal materials for the study. Methods : In this study, a Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) based network pharmacology analysis method was used, and oral bioavailability (OB), drug likeness (DL), Caco-2 and BBB permeability were utilized to select compounds with potential activity. For the values of each variable used in this study, OB ≥ 20%, DL ≥ 0.18, Caco-2 ≥ 0, and BBB ≥ -0.3 were applied, then networks of bioactive compounds, target proteins, and target diseases was constructed. STRING database was used to construct a protein-protein interaction network. Results : It was confirmed that SR rather than GR has various target proteins and target diseases based on network pharmacological analysis using TCMSP database. And it was analyzed that the bioactive compounds only in SR act more on neurovascular diseases, and both drugs are expected to be effectively used for cardiovascular diseases. Conclusions : In our future study, SR will be used in an ischemic stroke mouse model, and the mechanism of action will be explored focusing on apoptosis and cell proliferation.

Prediction the efficacy and mechanism of action of Daehwangmokdanpitang to treat psoriasis based on network pharmacology (네트워크 약리학 기반 대황목단피탕(大黃牧丹皮湯)의 건선 조절 효능 및 작용 기전 예측)

  • Bitna Kweon;Dong-Uk Kim;Gabsik Yang; Il-Joo Jo
    • The Korea Journal of Herbology
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    • v.38 no.6
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    • pp.73-91
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    • 2023
  • Objectives : This study used a network pharmacology approach to elucidate the efficacy and molecular mechanisms of Daehwangmokdanpitang (DHMDPT) on Psoriasis. Methods : Using OASIS databases and PubChem database, compounds of DHMDPT and their target genes were collected. The putative target genes of DHMDPT and known target genes of psoriasis were compared and found the correlation. Then, the network was constructed using Cytoscape 3.10.1. The key target genes were screened by Analyzer network and their functional enrichment analysis was conducted based on the Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathways to predict the mechanisms. Results : The result showed that total 30 compounds and 439 related genes were gathered from DHMDPT. 264 genes were interacted with psoriasis gene set, suggesting that the effects of DHMDPT are closely related to psoriasis. Based on GO enrichment analysis and KEGG pathways, 'Binding', 'Cytokine Activity', 'Receptor Ligand Activity' 'HIF-1 signaling pathway', 'IL-17 signaling pathway', 'Toll-like receptor signaling pathway', and 'TNF signaling pathway' were predicted as functional pathways of 16 key target genes of DHMDPT on psoriasis. Among the target genes, IL6, IL1B, TNF, AKT1 showed high correlation with the results of KEGG pathways. Additionally, Emodin, Acetovanillone, Gallic acid, and Ferulic acid showed a high relevance with key genes and their mechanisms. Conclusion : Through a network pharmacological method, DHMDPT was predicted to have high relevance with psoriasis. This study could be used as a basis for studying therapeutic effects of DHMDPT on psoriasis.