scholarly journals Network Pharmacology-Based Approach Uncovers the Mechanism of GuanXinNing Tablet for Treating Thrombus by MAPKs Signal Pathway

2020 ◽  
Vol 11 ◽  
Author(s):  
Mu-Lan Wang ◽  
Qin-Qin Yang ◽  
Xu-Hui Ying ◽  
Yuan-Yuan Li ◽  
Yang-Sheng Wu ◽  
...  
Keyword(s):  
Signal Pathway ◽  
Network Pharmacology ◽  
Guanxinning Tablet

Molecular Mechanism of The Effect of Huanglian Jiedu Decoction On Ulcerative Colitis Based On Network Pharmacology And Molecular Docking

2021 ◽  
Author(s):  
Jing Yang ◽  
Chao-Tao Tang ◽  
Ruiri Jin ◽  
Bixia Liu ◽  
Peng Wang ◽  
...  
Keyword(s):  
Ulcerative Colitis ◽  
Molecular Docking ◽  
Molecular Mechanism ◽  
Target Genes ◽  
Signal Pathway ◽  
Intestinal Barrier Function ◽  
Network Pharmacology ◽  
Bioactive Components ◽  
Ppi Network ◽  
Active Components

Abstract Huanglian jiedu decoction (HLJDD) is a heat-clearing and detoxifying agent composed of four kinds of Chinese herbal medicine. Previous studies have shown that HLJDD can improve the inflammatory response of ulcerative colitis (UC) and maintain intestinal barrier function. However, its molecular mechanism is not completely clear. In this study, we verified the bioactive components (BCI) and potential targets of HLJDD in the treatment of UC by means of network pharmacology and molecular docking, and constructed the pharmacological network and PPI network. Then the core genes were enriched by GO and KEGG. Finally, the bioactive components were docked with the key targets to verify the binding ability between them. A total of 54 active components related to UC were identified. Ten genes are considered to be very important to PPI network. Functional analysis showed that these target genes were mainly involved in the regulation of cell response to different stimuli, IL-17 signal pathway and TNF signal pathway. The results of molecular docking showed that the active components of HLJDD had good affinity with Hub gene. This study systematically elucidates the "multi-component, multi-target, multi-pathway" mechanism of anti-UC with HLJDD for the first time, suggesting that HLJDD or its active components may be candidate drugs for the treatment of ulcerative colitis.

scholarly journals Revealing the Pharmacological Mechanism of Acorus tatarinowii in the Treatment of Ischemic Stroke Based on Network Pharmacology

2020 ◽  
Vol 2020 ◽  
pp. 1-16
Author(s):  
FengZhi Liu ◽  
Qian Zhao ◽  
Suxian Liu ◽  
Yingzhi Xu ◽  
Dongrui Zhou ◽  
...  
Keyword(s):  
Ischemic Stroke ◽  
Target Genes ◽  
Enrichment Analysis ◽  
Basic Mechanism ◽  
Signal Pathway ◽  
Network Pharmacology ◽  
Active Compounds ◽  
Pharmacological Mechanism ◽  
Interactive Network ◽  
Acorus Tatarinowii

Aim. Stroke is the second significant cause for death, with ischemic stroke (IS) being the main type threatening human being’s health. Acorus tatarinowii (AT) is widely used in the treatment of Alzheimer disease, epilepsy, depression, and stroke, which leads to disorders of consciousness disease. However, the systemic mechanism of AT treating IS is unexplicit. This article is supposed to explain why AT has an effect on the treatment of IS in a comprehensive and systematic way by network pharmacology. Methods and Materials. ADME (absorbed, distributed, metabolized, and excreted) is an important property for screening-related compounds in AT, which were screening out of TCMSP, TCMID, Chemistry Database, and literature from CNKI. Then, these targets related to screened compounds were predicted via Swiss Targets, when AT-related targets database was established. The gene targets related to IS were collected from DisGeNET and GeneCards. IS-AT is a common protein interactive network established by STRING Database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment were analysed by IS-AT common target genes. Cytoscape software was used to establish a visualized network for active compounds-core targets and core target proteins-proteins interactive network. Furthermore, we drew a signal pathway picture about its effect to reveal the basic mechanism of AT against IS systematically. Results. There were 53 active compounds screened from AT, inferring the main therapeutic substances as follows: bisasaricin, 3-cyclohexene-1-methanol-α,α,4-trimethyl,acetate, cis,cis,cis-7,10,13-hexadecatrienal, hydroxyacoronene, nerolidol, galgravin, veraguensin, 2′-o-methyl isoliquiritigenin, gamma-asarone, and alpha-asarone. We obtained 398 related targets, 63 of which were the same as the IS-related genes from targets prediction. Except for GRM2, remaining 62 target genes have an interactive relation, respectively. The top 10 degree core target genes were IL6, TNF, IL1B, TLR4, NOS3, MAPK1, PTGS2, VEGFA, JUN, and MMP9. There were more than 20 terms of biological process, 7 terms of cellular components, and 14 terms of molecular function through GO enrichment analysis and 13 terms of signal pathway from KEGG enrichment analysis based on P < 0.05 . Conclusion. AT had a therapeutic effect for ischemic via multicomponent, multitarget, and multisignal pathway, which provided a novel research aspect for AT against IS.

scholarly journals Investigation of Anti-osteoporosis Mechanisms of Rehmanniae Radix Preparata Based on Network Pharmacology and Experimental Verification

2021 ◽  
Author(s):  
Li Ou ◽  
Wenqian Kang ◽  
Ziyi Liang ◽  
Feng Gao ◽  
Taiwei Dong ◽  
...  
Keyword(s):  
Topological Analysis ◽  
Animal Experiments ◽  
Binding Activity ◽  
Signal Pathway ◽  
Estrogen Signaling ◽  
Network Pharmacology ◽  
Signal Pathways ◽  
Treatment Of Osteoporosis ◽  
Key Genes ◽  
Rehmanniae Radix

Abstract Background: Rehmanniae Radix Preparata (RRP) can effectively improve the symptoms of osteoporosis, but its molecular mechanism for treating osteoporosis is still unclear. The objective of this study is to investigate anti-osteoporosis mechanisms of RRP through network pharmacology.Methods: The overlapping targets of RRP and osteoporosis were screened out using online platforms. A visual network diagram of PPI was constructed and analyzed by Cytoscape 3.7.2 software. Molecular docking was used to evaluate the binding activity of ligands and receptors, and some key genes were randomly verified through pharmacological experiments. Results: According to topological analysis results, AKT1, MAPK1, ESR1, SRC, and MMP9 are key genes for RRP to treat osteoporosis, and they have high binding activity with stigmasterol and sitosterol. The main signal pathways of RRP in the treatment of osteoporosis, including Estrogen signaling pathway, HIF-1 signal pathway, MAPK signal pathway, PI3K-Akt signal pathway, etc. Results of animal experiments showed that RRP could significantly increase the expression levels of Akt1, ESR1 and SRC-1 mRNA in bone tissue to promote bone formation. Conclusion: This study explained the coordination between multiple components and multiple targets of RRP in the treatment of osteoporosis, and provided new ideas and basis for its clinical application and experimental research.

scholarly journals Study on the Mechanism of Mulberry Root Bark Decoction in the Treatment of Chronic Obstructive Pulmonary Disease based on Network Pharmacology

2021 ◽  
Vol 5 (5) ◽  
pp. 90-95
Author(s):  
Jie Meng ◽  
Xuanguo Zhang
Keyword(s):  
Oxidative Stress ◽  
Chronic Obstructive Pulmonary Disease ◽  
Pulmonary Disease ◽  
Signal Pathway ◽  
Network Pharmacology ◽  
Chronic Obstructive ◽  
Root Bark ◽  
Active Components ◽  
Obstructive Pulmonary Disease ◽  
R Language

Objective: Study the mechanism of Mulberry Root Bark Decoction in the treatment of COPD based on network pharmacology. Methods: The active components and predictive targets of Mulberry Root Bark Decoction were screened by TCMSP database. The disease targets of COPD were collected by searching GeneCards, DisGeNET, PhamGKB and TTD databases. Using R language to draw Venn diagram, and get the key target of Mulberry Root Bark Decoction in the treatment of COPD. Cytoscape was used to construct the regulatory network of drug active ingredient disease target. The key targets were imported into string database to construct protein-protein interaction network, and the core targets were obtained by network topology analysis with Cytoscape software. Finally, the Bioconductor platform and R language were used for GO and KEGG enrichment analysis. Results: There were 142 active components and 255 drug targets in Mulberry Root Bark Decoction. 1941 COPD targets were retrieved. There were 129 common targets of Mulberry Root Bark Decoction and COPD; Eight core targets of PPI network were obtained. GO function analysis is involved in oxidative stress, cellular chemical stress and other biological processes. Cell components such as cell membrane raft and membrane region involve molecular functions such as ubiquitin like protein ligase and DNA binding transcription factor. KEGG mainly includes PI3K-Akt signal pathway, tumor necrosis factor signal pathway, IL-17 signal pathway, etc. Conclusion: Quercetin, luteolin, kaempferol, wogonin and other active components in Mulberry Root Bark Decoction act on PI3K / Akt, TNF, IL-17, TCR and other signal pathways through Jun, TP53, MAPK1, IL6 and other targets to play an anti-inflammatory and reduce oxidative stress response role. The results of this study can provide a reference for further study on the mechanism of Mulberry Root Bark Decoction in the treatment of chronic obstructive pulmonary disease.

scholarly journals Exploring the Mechanism of Action Compound-Xueshuantong Capsule in Diabetic Retinopathy Treatment Based on Network Pharmacology

2020 ◽  
Vol 2020 ◽  
pp. 1-12
Author(s):  
Haoran Li ◽  
Biao Li ◽  
Yanlin Zheng
Keyword(s):  
Diabetic Retinopathy ◽  
Active Ingredient ◽  
Diabetic Complications ◽  
Interaction Network ◽  
Signal Pathway ◽  
Tanshinone Iia ◽  
Network Pharmacology ◽  
Active Components ◽  
Disease Treatment

Aim of the Study. To study the mechanism of Compound-Xueshuantong Capsule in diabetic retinopathy treatment based on network pharmacology. Materials and Methods. The components with oral bioavailability ≥30% and drug similarity ≥0.18 were screened by the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform (TCMSP), and the effective grouping of Compound-Xueshuantong Capsule was obtained. At the same time, the targets of each drug active component in the Compound-Xueshuantong Capsule were obtained by searching the TCMSP. The effective components and targets of the Compound-Xueshuantong Capsule were annotated by the UniProt database, and the disease treatment targets were searched by the GeneCards database. The disease treatment target is intersected with the drug target and the Wayne diagram is drawn by VennDiagram. The active ingredient targets of the intersection and Compound-Xueshuantong Capsule were inputted into Cytoscape 3.7.2 software to construct the active ingredient-target-disease interaction network. The above targets were inputted into the String database for protein-protein interaction network prediction. Finally, by using the DAVID database, GO and KEGG enrichment analysis was carried out to reveal the potential signal pathway of the Compound-Xueshuantong Capsule in diabetic retinopathy treatment. Results. 93 active components of the Compound-Xueshuantong Capsule and 92 targets for treating diabetic retinopathy were screened. The main active components of the Compound-Xueshuantong Capsule in treating diabetic retinopathy were quercetin, luteolin, kaempferol, beta-sitosterol, isorhamnetin, and tanshinone IIa. The effect of the Compound-Xueshuantong Capsule on diabetic retinopathy may be related to IL6, EFGR, CASP3, and VEGFA. In addition, the treatment of diabetic retinopathy mainly involves in the regulation of nuclear receptors and transcription factors in vivo. The target of the Compound-Xueshuantong Capsule in diabetic retinopathy treatment is significantly enriched in the AGE-RAGE signal pathway, TNF signal pathway, HIF-1 signal pathway, and VEGF signal pathway in diabetic complications. Conclusion. Compound-Xueshuantong Capsule can treat diabetic retinopathy through multitarget, multipathway, and multipathway regulation of the biomolecular network. The potential biological mechanism of the Compound-Xueshuantong Capsule in diabetic retinopathy treatment may be related to the AGE-RAGE signal pathway, TNF signal pathway, HIF-1 signal pathway, and VEGF signal pathway in diabetic complications, but these findings still need to be confirmed by further clinical research.

scholarly journals Exploring the mechanism of astaxanthin against lipopolysaccharide-induced acute lung injury by network pharmacology and experimental validation

2021 ◽  
Author(s):  
lianxiang luo ◽  
Xiaoling Li ◽  
Riming Huang ◽  
Hui Luo
Keyword(s):  
Lung Injury ◽  
Signaling Pathway ◽  
Interaction Analysis ◽  
Signal Pathway ◽  
Inflammatory Factors ◽  
Network Pharmacology ◽  
Protective Effects ◽  
Myd88 Signaling

Abstract BackgroundAcute lung injury (ALI) is a leading cause of morbidity and mortality in respiratory disease. Astaxanthin, a natural antioxidant xanthophyll carotenoid, has been shown to possess anti-inflammatory activity. However, poor evidence has been reported that whether it has protective effects against ALI.Methods A network pharmacology analysis was carried out combining the construction of the GeneCards database and the Pharmmapper database, The potential active compounds and targets were predicted by compound-target prediction, protein-protein interaction analysis, GO and KEGG pathway analysis. Then, the anti-inflammation effect of astaxanthin was investigated in LPS-induced RAW264.7 cells in vitro and LPS-induced ALI mice in vivo.ResultsThe results screened by GO and KEGG enrichment analysis suggested that astaxanthin had extensive associations with 25 known therapeutic targets of ALI. These target genes were further found to be associated with pathways involved in inflammatory pathways in ALI, such as the Toll-like receptor signal pathway, TNF signal pathway, Hif signal pathway, and NF-Kappa B signal pathway. Pre-treatment with astaxanthin inhibited the TLR4/MyD88 signaling pathway and attenuated LPS-increased inflammatory factors in vitro. Furthermore, the administration of astaxanthin significantly protected lung injury in vivo. Subsequently, we validated astaxanthin binds to the TLR4 pocket using molecular docking. ConclusionTaken together, astaxanthin exerts impressively protective effects on LPS-induced ALI in vitro and in vivo via suppressing the TLR4/MyD88 signaling pathway.

scholarly journals The effect and mechanism of Jiao-tai-wan in the treatment of diabetes mellitus with depression based on network pharmacology and experimental analysis

2021 ◽  
Vol 27 (1) ◽  
Author(s):  
Yueheng Tang ◽  
Hao Su ◽  
Hongzhan Wang ◽  
Fuer Lu ◽  
Kexin Nie ◽  
...  
Keyword(s):  
Diabetes Mellitus ◽  
Blood Glucose ◽  
Therapeutic Effect ◽  
Mapk Signaling ◽  
Signal Pathway ◽  
Network Pharmacology ◽  
Therapeutic Effects ◽  
Behavioral Tests ◽  
Active Compounds ◽  
Antidepressant Effects

Abstract Background The incidence of diabetes mellitus (DM) and depression is increasing year by year around the world, bringing a serious burden to patients and their families. Jiao-tai-wan (JTW), a well-known traditional Chinese medicine (TCM), has been approved to have hypoglycemic and antidepressant effects, respectively, but whether JTW has such dual effects and its potential mechanisms is still unknown. This study is to evaluate the dual therapeutic effects of JTW on chronic restraint stress (CRS)-induced DM combined with depression mice, and to explore the underlying mechanisms through network pharmacology. Methods CRS was used on db/db mice for 21 days to induce depression-like behaviors, so as to obtain the DM combined with depression mouse model. Mice were treated with 0.9% saline (0.1 ml/10 g), JTW (3.2 mg/kg) and Fluoxetine (2.0 mg/kg), respectively. The effect of JTW was accessed by measuring fasting blood glucose (FBG) levels, conducting behavioral tests and observing histopathological change. The ELISA assay was used to evaluate the levels of inflammatory cytokines and the UHPLC-MS/MS method was used to determine the depression-related neurotransmitters levels in serum. The mechanism exploration of JTW against DM and depression were performed via a network pharmacological method. Results The results of blood glucose measurement showed that JTW has a therapeutic effect on db/db mice. Behavioral tests and the levels of depression-related neurotransmitters proved that JTW can effectively ameliorate depression-like symptoms in mice induced by CRS. In addition, JTW can also improve the inflammatory state and reduce the number of apoptotic cells in the hippocampus. According to network pharmacology, 28 active compounds and 484 corresponding targets of JTW, 1407 DM targets and 1842 depression targets were collected by screening the databases, and a total of 117 targets were obtained after taking the intersection. JTW plays a role in reducing blood glucose level and antidepressant mainly through active compounds such as quercetin, styrene, cinnamic acid, ethyl cinnamate, (R)-Canadine, palmatine and berberine, etc., the key targets of its therapeutic effect include INS, AKT1, IL-6, VEGF-A, TNF and so on, mainly involved in HIF-1 signal pathway, pathways in cancer, Hepatitis B, TNF signal pathway, PI3K-Akt signal pathway and MAPK signaling pathway, etc. Conclusion Our experimental study showed that JTW has hypoglycemic and antidepressant effects. The possible mechanism was explored by network pharmacology, reflecting the characteristics of multi-component, multi-target and multi-pathway, which provides a theoretical basis for the experimental research and clinical application of JTW in the future.

scholarly journals Network Pharmacology Revealed the mechanism of Platycodon grandiflorum in Lung Cancer Treatment

2020 ◽  
Author(s):  
Xiang-Jing Chen ◽  
Ran Zhang ◽  
Ren-Zhong Wang ◽  
Cheng-Fang Yao
Keyword(s):  
Lung Cancer ◽  
Molecular Docking ◽  
Cancer Treatment ◽  
Signaling Pathway ◽  
Topological Analysis ◽  
Signal Pathway ◽  
Network Pharmacology ◽  
Active Compounds ◽  
Platycodon Grandiflorum ◽  
The Common

Abstract Background: Traditional Chinese Medicine has demonstrated increasingly unique advantages in the treatment of lung cancer. Through literature review, it was found out that Platycodon grandiflorum had immunomodulatory and anti-inflammatory effects, and it had a special targeting effect on the lung. Purpose：In order to determine the molecular mechanism of Platycodon grandiflorum in lung cancer treatment. Network pharmacology theory was used to do a systematic study.Methods: The active compounds of Platycodon grandiflorum were screened from TCMSP database. Then, compounds targets were predicted with the assistance of Swiss Target Prediction and STITCH. The targets of lung cancer were screened form TTD and DisGeNET database. The common targets of compounds and lung cancer were screened out for following analysis. A Protein-Protein Interaction (PPI) Network was constructed by STRING. Subsequent to topological analysis, the hub targets were screened out for KEGG pathway and GO Enrichment. Molecular docking by AutoVina was performed to investigate the binding ability between the hub targets and compounds. Results: There were 4 active compounds screened out, including Acacetin, Spinasterol, cis-Dihydroquercetin and Luteolin. There were 80 targets screened as the common target of compounds and lung cancer. After topological analysis TP53, AKT1, VEGFA, CASP3, IL6, EGFR and MAPK1 were identified as hub targets. The 7 hub targets might be involved in 81 biological annotation and in the regulation of 23 pathways to intervene lung cancer. The main functional annotation was negative regulation of apoptotic process. Almost all of the pathways were directly or indirectly associated with the PI3K-Akt signal pathway and MAPK signal pathway. According to Affinity score of molecular docking the best binding protein for Luteolin was EGFR, and the best binding protein for Acacetin was CASP3. This meant that the Platycodon grandiflorum was easier to combine these two targets than other targets.Conclusion: Our study affirmed the effectiveness of Platycodon grandiflorum in treatment of lung cancer from molecular level. And we found that EGFR and CASP3 were the most likely targets for the direct action of Platycodon grandiflorum. The most important pathways that Platycodon grandiflori might interfere with were PI3K-Akt signaling pathway and MAPK signaling pathway.

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