• 제목/요약/키워드: Network pharmacology

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네크워크 약리학적 방법론을 활용한 한의학 효능 연구 고찰 (Review of Network Pharmacological Approaches on Korean Medicine)

  • 백종민;서한길;권영규
    • 동의생리병리학회지
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    • 제30권6호
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    • pp.419-425
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    • 2016
  • This study analyzed research methodologies based on network pharmacology to build a new system architecture optimized for Korean Medicine research. Results form studies using network pharmacology were collected and analyzed to evaluate the strength and weakness. Finally, an improved system architecture was proposed. Whether the predicted effects of drugs or herbs from network pharmacological analyses were in agreement with those from conventioanl knowledge of Korean Medicine was evaluated. These results were used to verify the applicability of research methodologies to the modern pharmacology and Korean Medicine respectively. Eighteen papers using TCMSP were collected and analyzed. The results suggest that the research methodology based on network pharmacology is appropriate only for the modern pharmacology but not for Korean Medicine. Information about compound-compound, herb-herb and drug-compound interactions need to be considered. We propose the modified system architecture with those information.

네트워크 약리학을 활용한 알레르기 비염에서의 몰약의 치료 효능 및 기전 예측 (Network pharmacology-based prediction of efficacy and mechanism of Myrrha acting on Allergic Rhinitis)

  • 임예빈;권빛나;김동욱;배기상
    • 대한한의학회지
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    • 제45권1호
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    • pp.114-125
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    • 2024
  • Objectives: Network pharmacology is an analysis method that explores drug-centered efficacy and mechanism by constructing a compound-target-disease network based on system biology, and is attracting attention as a methodology for studying herbal medicine that has the characteristics for multi-compound therapeutics. Thus, we investigated the potential functions and pathways of Myrrha on Allergic Rhinitis (AR) via network pharmacology analysis and molecular docking. Methods: Using public databases and PubChem database, compounds of Myrrha and their target genes were collected. The putative target genes of Myrrha and known target genes of AR were compared and found the correlation. Then, the network was constructed using STRING database, and functional enrichment analysis was conducted based on the Gene Ontology (GO) Biological process and Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathways. Binding-Docking stimulation was performed using CB-Dock. Results: The result showed that total 3 compounds and 55 related genes were gathered from Myrrha. 33 genes were interacted with AR gene set, suggesting that the effects of Myrrha are closely related to AR. Target genes of Myrrha are considerably associated with various pathways including 'Fc epsilon RI signaling pathway' and 'JAK-STAT signaling pathway'. As a result of blinding docking, AKT1, which is involved in both mechanisms, had high binding energies for abietic acid and dehydroabietic acid, which are components of Myrrha. Conclusion: Through a network pharmacological method, Myrrha was predicted to have high relevance with AR by regulating AKT1. This study could be used as a basis for studying therapeutic effects of Myrrha on AR.

네트워크 약리학을 통한 황기의 항비만 효능 및 작용기전 예측 연구 (Prediction of functional molecular machanism of Astragalus membranaceus on obesity via network pharmacology analysis)

  • 김미혜
    • 대한본초학회지
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    • 제38권1호
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    • pp.45-53
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    • 2023
  • Objectives : Network pharmacology-based research is one of useful tool to predict the possible efficacy and molecular mechanisms of natural materials with multi compounds-multi targeting effects. In this study, we investigated the functional underlying mechanisms of Astragalus membranaceus Bunge (AM) on its anti-obesity effects using a network pharmacology analysis. Methods : The constituents of AM were collected from public databases and its target genes were gathered from PubChem database. The target genes of AM were compared with the gene set of obesity to find the correlation. Then, the network was constructed by Cytoscape 3.9.1. and functional enrichment analysis was conducted to predict the most relevant pathway of AM. Results : The result showed that AM network contained the 707 nodes and 6867 edges, and 525 intersecting genes were exhibited between AM and obesity gene set, indicating that high correlation with the effects of AM on obesity. Based on GO biological process and KEGG Pathway, 'Response to lipid', 'Cellular response to lipid', 'Lipid metabolic process', 'Regulation of chemokine production', 'Regulation of lipase activity', 'Chemokine signaling pathway', 'Regulation of lipolysis in adipocytes' and 'PPAR signaling pathway' were predicted as functional pathways of AM on obesity. Conclusions : AM showed high relevance with the lipid metabolism related with the chemokine production and lipolysis pathways. This study could be a basis that AM has promising effects on obesity via network pharmacology analysis.

한의학 연구에서 네트워크 약리학의 핵심 연구기법인 "in silico" 연구 방법론의 도입 필요성 (The initial for herbalomics; using "in silico" experiment.)

  • 김홍만;고동균;박선동
    • 대한한의학방제학회지
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    • 제30권3호
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    • pp.205-210
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    • 2022
  • Conventional pharmacology has followed the notion of the reductionist 'single target selective drug paradigm'. Network pharmacology has made conventional pharmacology newer while meeting the challenges of this era. Conventional pharmacological methods have not solved the problems of Korean Medicine. For this reason, Network pharmaco- logy needs urgently and desperately for Korean medicine research. However, the information on drug interactions in herbal medicines is complex and less known. There are still some hurdles before network pharmacology emerges, one factor which constitutes Korean medicine research. There is a need to look for solutions other than inheriting the network pharmacology to solve problems that Korean medicine has before. The way of 'in silico' research should be the best to meet this challenge. With the help of 'in silico' research, there might have been emerged new findings of experimental data in Korean Medicine. If 'herbalomics' has been close to foundation through the 'in silico' method, it will contribute to the formation of modern Korean medicine and, simultaneously, come to a foundation for revitalizing exchanges with orthodox Western medicine. Eventually, it ends with a significant profitable and healthy result for the patients.

한의학 이론 연구를 위한 새로운 방법: 네트워크 약리학을 활용한 약물중심 접근법 (A Novel Method to Investigating Korean Medicine Theory : Drug-centered Approach Employing Network Pharmacology)

  • 이원융;김창업;이충열
    • 동의생리병리학회지
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    • 제35권5호
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    • pp.125-131
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    • 2021
  • The scientific understanding of Korean medicine theory remains largely unknown, since there is a lack of proper methods to investigate its complex and unique characteristics. Here, we introduce a drug-centered approach, a novel method to investigate Korean medicine theory by analyzing the mechanisms of herbal medicines. This method can be effectively conducted by employing network pharmacology that can analyze the systems-level mechanisms of herbal medicines on a large scale. Firstly, we introduce the method of network pharmacology that are applied to analyze the mechanisms of herbal medicines in a step-by-step manner. Then, we show how the drug-centered approach employing network pharmacology can be applied to investigate Korean medicine theory by describing studies that identify the biological correlates of the cold-hot nature of herbs, spleen qi deficiency syndrome, or Sasang constitution. Finally, we discuss the limitations and future directions of the proposed approach in two aspects: The methods of network pharmacology for a drug-centered approach and the process of inferring Korean medicine theory through it. We believe that a drug-centered approach employing network pharmacology will provide an advanced scientific understanding of Korean medicine theory and contribute to its development by generating biologically plausible hypothesis.

네트워크 약리학을 기반으로한 총명공진단(聰明供辰丹) 구성성분과 알츠하이머 타겟 유전자의 효능 및 작용기전 예측 (Network pharmacology-based prediction of efficacy and mechanism of Chongmyunggongjin-dan acting on Alzheimer's disease)

  • 권빛나;유수민;김동욱;오진영;장미경;박성주;배기상
    • 대한한의학회지
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    • 제44권2호
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    • pp.106-118
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    • 2023
  • Objectives: Network pharmacology is a method of constructing and analyzing a drug-compound-target network to predict potential efficacy and mechanisms related to drug targets. In that large-scale analysis can be performed in a short time, it is considered a suitable tool to explore the function and role of herbal medicine. Thus, we investigated the potential functions and pathways of Chongmyunggongjin-dan (CMGJD) on Alzheimer's disease (AD) via network pharmacology analysis. Methods: Using public databases and PubChem database, compounds of CMGJD and their target genes were collected. The putative target genes of CMGJD and known target genes of AD were compared and found the correlation. Then, the network was constructed using Cytoscape 3.9.1. and functional enrichment analysis was conducted based on the Gene Ontology (GO) Biological process and Kyoto Encyclopedia of Genes and Genomes (KEGG) Pathways to predict the mechanisms. Results: The result showed that total 104 compounds and 1157 related genes were gathered from CMGJD. The network consisted of 1157nodes and 10034 edges. 859 genes were interacted with AD gene set, suggesting that the effects of CMGJD are closely related to AD. Target genes of CMGJD are considerably associated with various pathways including 'Positive regulation of chemokine production', 'Cellular response to toxic substance', 'Arachidonic acid metabolic process', 'PI3K-Akt signaling pathway', 'Metabolic pathways', 'IL-17 signaling pathway' and 'Neuroactive ligand-receptor interaction'. Conclusion: Through a network pharmacological method, CMGJD was predicted to have high relevance with AD by regulating inflammation. This study could be used as a basis for effects of CMGJD on AD.

중국 네트워크약리학 데이터베이스 구축 현황 및 TCMSP의 활용가능성 검토 - 사상체질의학의 약물을 중심으로 - (Status of Construction of TCM Network Pharmacology Databases and Potential Application of TCMSP to Korean Traditional Medicine - mainly with Sasang-related Herbs)

  • 황상문;백종민;서수연;권영규
    • 동의생리병리학회지
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    • 제29권6호
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    • pp.443-450
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    • 2015
  • The purpose of this study was is to understand how the network pharmacology databases of traditional medicine in China are established and provide suggestion for successful implementation in Traditional Korean Medicine. We searched for network-pharmacology-related TCM Databases provided on the internet, and analysed their contents. Then, we compared herbs related to Sasang with herbs of the TCM Databases. We chose 8 network-pharmacology-related TCM Databases. They shared information about compounds, herbs, formulae, drugs, targets and diseases, and provided interaction networks between these components. In comparison with herbs related to Sasang, TCMSP Database did not have information about 99 herbs in total, and 25 herbs included in major Sasang formulae. The implications and recommendations for Traditional Korean Medicine researches were discussed. Based on the results of this primary study, more related studies should be carried out in the future.

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

  • 박소현;이병호;진명호;조수인
    • 대한한의학방제학회지
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    • 제28권3호
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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.

Radicicol Inhibits iNOS Expression in Cytokine-Stimulated Pancreatic Beta Cells

  • Youn, Cha Kyung;Park, Seon Joo;Li, Mei Hong;Lee, Min Young;Lee, Kun Yeong;Cha, Man Jin;Kim, Ok Hyeun;You, Ho Jin;Chang, In Youp;Yoon, Sang Pil;Jeon, Young Jin
    • The Korean Journal of Physiology and Pharmacology
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    • 제17권4호
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    • pp.315-320
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    • 2013
  • Here, we show that radicicol, a fungal antibiotic, resulted in marked inhibition of inducible nitric oxide synthase (iNOS) transcription by the pancreatic beta cell line MIN6N8a in response to cytokine mixture (CM: TNF-${\alpha}$, IFN-${\gamma}$, and IL-$1{\beta}$). Treatment of MIN6N8a cells with radicicol inhibited CM-stimulated activation of NF-${\kappa}B$/Rel, which plays a critical role in iNOS transcription, in a dose-related manner. Nitrite production in the presence of PD98059, a specific inhibitor of the extracellular signal-regulated protein kinase-1 and 2 (ERK1/2) pathway, was dramatically diminished, suggesting that the ERK1/2 pathway is involved in CM-induced iNOS expression. In contrast, SB203580, a specific inhibitor of p38, had no effect on nitrite generation. Collectively, this series of experiments indicates that radicicol inhibits iNOS gene expression by blocking ERK1/2 signaling. Due to the critical role that NO release plays in mediating destruction of pancreatic beta cells, the inhibitory effects of radicicol on iNOS expression suggest that radicicol may represent a useful anti-diabetic activity.

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

  • 권빛나;김동욱;양갑식;조일주
    • 대한본초학회지
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    • 제38권6호
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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.