• 대한본초학회지
• /
• 제38권1호
• /
• pp.45-53
• /
• 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.

• 대한한의학방제학회지
• /
• 제28권3호
• /
• pp.243-254
• /
• 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.

• 대한한의학회지
• /
• 제45권1호
• /
• pp.114-125
• /
• 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.

• 한국컴퓨터정보학회논문지
• /
• 제28권10호
• /
• pp.113-121
• /
• 2023

한의학 및 중의학 분야에서 네트워크 약리학은 계산학적인 방법을 통해 한약의 분자생물학적인 기전을 연구하기 위해 널리 활용된다. 개별 연구를 위해 사용되는 데이터베이스, 분석기법, 분석기준 등은 다양하나, 대부분의 한의학 네트워크 약리학 연구들은 약재-성분 네트워크 구축, 성분-표적 네트워크 구축, 표적의 해석이라는 유사한 단계로 수행된다. 효율적이고 일관성있는 한의학 네트워크 약리학 분석을 위해서, 우리는 일반적으로 적용할 수 있는 한의학 네트워크 분석 파이프라인 시스템을 설계하고 구현하였다. 우리는 이 시스템의 신뢰성을 약재의 네트워크 약리학 분석을 위해 널리 사용되는 데이터베이스를 활용해서 확인하였다. 제안된 시스템은 다양한 한약에 대한 네트워크 약리학적 분석을 용이하게 하고, 일관성 있는 분석을 도울 것이다.

• 대한한의학회지
• /
• 제44권2호
• /
• pp.106-118
• /
• 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.

• 대한본초학회지
• /
• 제38권6호
• /
• pp.73-91
• /
• 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.

• 턱관절균형의학회지
• /
• 제12권1호
• /
• pp.7-14
• /
• 2022

Objectives: Dementia is a disease in which a person maintains a normal intellectual level during the growth period, but has acquired cognitive impairment and personality change. In this study, we tried to check whether the network pharmacology analysis method is useful in the search for herbal medicine resources for the treatment of dementia. Methods: The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) database is a database frequently used in Chinese medicine research. We used the TCMSP to identify herbal medicines and their molecular targets that can be used for dementia by using network pharmacology research methods. Results: It was possible to select 28 types of components that are expected to be active by applying them to the living body, and 75 types of targets that these components act on were secured. In addition, 16 kinds of drugs were identified by checking the drugs containing 28 kinds of ingredients, and it was found that Radix Salviae contained 2 kinds of the selected 28 kinds of ingredients. Conclusions: Through this study, we were able to identify ingredients, drugs, and targets that can be used for basic and clinical research on dementia.

• 한방안이비인후피부과학회지
• /
• 제36권1호
• /
• pp.50-63
• /
• 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.

• 대한약침학회지
• /
• 제18권3호
• /
• pp.11-18
• /
• 2015

Objectives: Systems biology is a novel subject in the field of life science that aims at a systems' level understanding of biological systems. Because of the significant progress in high-throughput technologies and molecular biology, systems biology occupies an important place in research during the post-genome era. Methods: The characteristics of systems biology and its applicability to traditional medicine research have been discussed from three points of view: data and databases, network analysis and inference, and modeling and systems prediction. Results: The existing databases are mostly associated with medicinal herbs and their activities, but new databases reflecting clinical situations and platforms to extract, visualize and analyze data easily need to be constructed. Network pharmacology is a key element of systems biology, so addressing the multi-component, multi-target aspect of pharmacology is important. Studies of network pharmacology highlight the drug target network and network target. Mathematical modeling and simulation are just in their infancy, but mathematical modeling of dynamic biological processes is a central aspect of systems biology. Computational simulations allow structured systems and their functional properties to be understood and the effects of herbal medicines in clinical situations to be predicted. Conclusion: Systems biology based on a holistic approach is a pivotal research methodology for understanding the mechanisms of traditional medicine. If systems biology is to be incorporated into traditional medicine, computational technologies and holistic insights need to be integrated.

• 대한한의학방제학회지
• /
• 제27권3호
• /
• pp.189-197
• /
• 2019

Objectives : The purpose of this study was to confirm whether Codonopsis Radix(CR) could be used in the same way for expected indications or diseases of adaptation instead of Ginseng Radix(GR), which acts as a principal herb in Sagunja-tang. Methods : The Traditional Chinese Medicine Systems pharmacology(TCMSP), a database for the study of systems biology related to Chinese medicine, screened potential active compounds in each quartet. By searching for all the proteins that each compound provides, the target of Sagunja-tang with GR(GRST) and the target of Sagunja-tang with CR(CRST) were compared using the network analysis method, and the top ranked target of each serving was selected. Results : Through TCMSP, a Chinese medicine database, the potential effective ingredients of GRST or CRST screened, and the target proteins related to these substances were found to be the most affected by Glycyrrhizae Radix et Rhizome, an herbal medicine mixed in Sagunja-tang, and the target diseases were the same. And the same were found for the target protein, gene and target diseases of GRST and CRST. Conclusions : The prescription with similar composition is likely to have similar network pharmacology analysis results, and the analysis result may be controlled by the herbal medicines which are assumed to be the main function. Therefore, rich and reproducible basic studies is more important because network pharmacological studies can be dominated by data that has been done a lot of previous studies.