scholarly journals Identification of Sitogluside as a Potential Skin-Pigmentation-Reducing Agent through Network Pharmacology

2021 ◽  
Vol 2021 ◽  
pp. 1-16
Author(s):  
Haoran Guo ◽  
Hongliang Zeng ◽  
Chuhan Fu ◽  
Jinhua Huang ◽  
Jianyun Lu ◽  
...  
Keyword(s):  
Skin Pigmentation ◽  
Melanoma Cells ◽  
Network Pharmacology ◽  
Active Ingredients ◽  
Skin Whitening ◽  
Topological Parameters ◽  
Inflammatory Processes ◽  
Regulatory Effects ◽  
Paeoniae Radix ◽  
Underlying Mechanisms

Many traditional Chinese medicines (TCMs) with skin-whitening properties have been recorded in the Ben-Cao-Gang-Mu and in folk prescriptions, and some literature confirms that their extracts do have the potential to inhibit pigmentation. However, no systematic studies have identified the specific regulatory mechanisms of the potential active ingredients. The aim of this study was to screen the ingredients in TCMs that inhibit skin pigmentation through a network pharmacology system and to explore underlying mechanisms. We identified 148 potential active ingredients from 14 TCMs, and based on the average “degree” of the topological parameters, the top five TCMs (Fructus Ligustri Lucidi, Hedysarum multijugum Maxim., Ampelopsis japonica, Pseudobulbus Cremastrae Seu Pleiones, and Paeoniae Radix Alba) that were most likely to cause skin-whitening through anti-inflammatory processes were selected. Sitogluside, the most common ingredient in the top five TCMs, inhibits melanogenesis in human melanoma cells (MNT1) and murine melanoma cells (B16F0) and decreases skin pigmentation in zebrafish. Furthermore, mechanistic research revealed that sitogluside is capable of downregulating tyrosinase (TYR) expression by inhibiting the ERK and p38 pathways and inhibiting TYR activity. These results demonstrate that network pharmacology is an effective tool for the discovery of natural compounds with skin-whitening properties and determination of their possible mechanisms. Sitogluside is a novel skin-whitening active ingredient with dual regulatory effects that inhibit TYR expression and activity.

scholarly journals Network Pharmacology-Based Investigation For Predicting Active Ingredients And Potential Targets Of Strychnos Nux-Vomica L. In Treating Multiple Myeloma

2020 ◽  
Author(s):  
Yan Zhou ◽  
Jianping Shen ◽  
Keting Jin ◽  
Chenjun Lin ◽  
Zirui Hong ◽  
...  
Keyword(s):  
Multiple Myeloma ◽  
Molecular Mechanisms ◽  
Chinese Herb ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Pathway Enrichment ◽  
Topological Parameters ◽  
Pharmacological Potential ◽  
Underlying Mechanisms

Abstract Background: Strychnos nux-vomica L. (SN)，a classic Chinese herb, have long been used for the treatment of cancer for many years, However, the pharmacological mechanisms of SN in treatment of Multiple myeloma L.remain vague.The aim of this study was to examine the network pharmacological potential effects of SN on Multiple myeloma using a systems pharmacology approach.Methods: we collected putative targets of SN based on the Traditional Chinese Medicine System Pharmacology database，and oral bioavailability and drug-likeness was screened using absorption, distribution, metabolism, and excretion (ADME) criteria. the network of the interactions among the putative targets of SN and known therapeutic targets of Multiple myeloma was built by using the STITCH database. Then, topological parameters, “Degree” ,“Closeness” and“Betweenness” were calculated to identify the hub targets in the network. Furthermore, the hub targets were imported to the Database for Annotation, Visualization and Integrated Discovery to perform a pathway enrichment analysis.Results: 60 of the identified potential targets of the SN were also Multiple Myeloma- related targets, including 14 putative targets of SN were observed to be major hubs in terms of topological importance.Additionally,the results of pathway enrichment analysis indicated that targets of SN in treating Multiple Myeloma were mainly clustered into multiple biological processes by activating on several signaling pathways(PI3K-Akt, p38-MAPK, Ras/Raf/MEK/ERK pathways), which implied that these were involved in the underlying mechanisms of SN on Multiple Myeloma. Conclusions: Our works successfully explain the potential effects of SN for Multiple Myeloma treatment via the molecular mechanisms predicted by network pharmacology.Moreover,our present outcomes might shed light on the further clinical application of SN in treating Multiple Myeloma.

scholarly journals The study of neuroprotective effects and underlying mechanism of Naoshuantong capsule on ischemia stroke mice

2020 ◽  
Author(s):  
Lvkeng Luo ◽  
Shuling Wu ◽  
Ruiqi Chen ◽  
Hongyu Rao ◽  
Wei Peng ◽  
...  
Keyword(s):  
Underlying Mechanism ◽  
Acute Stage ◽  
Network Pharmacology ◽  
Protective Effects ◽  
Active Ingredients ◽  
Nissl Staining ◽  
Neuroprotective Effects ◽  
Severity Scores ◽  
Anti Inflammatory ◽  
Underlying Mechanisms

Abstract Background: Naoshuantong capsule (NSTC) is an oral Chinese medicine formula composed of Typhae Pollen, Radix Paeoniae Rubra Curcumae Radix Gastrodiae Rhizoma and Radix Rhapontici. It has been widely used at the acute and recovery stage of ischemic stroke since 2001. Comparing with its wide clinical application, there are only few studies emphasize on investigating its pharmacological effects. Methods:To more generally elucidate the underlying mechanisms in this study, we identified active ingredients in NSTC by a network pharmacology approach based on transcriptomics analysis and pharmacological experiments. Modified neurological severity scores and morphometric analysis using Nissl staining were employed to evaluate the neuroprotective effects of NSTC on ischemia stroke in mice. Results: The results showed that NSTC had preventive and protective effects on ischemia stroke, featuring repair of brain tissue during the sub-acute stage of stroke. This may attribute to the underlying mechanisms including anti-inflammatory, antioxidant, and anti-apoptotic activities, as well as an attenuation of excitatory amino acids (EAAs) toxicity of the active ingredients, especially the most active apigenin, from NSTC. Specifically, naringenin, calycosin, gastrodin, caffeic acid, paeoniflorin, and β -elemene seem to be also pharmacological active substances responsible for the anti-inflammatory effects. Meanwhile, 13-hydroxygemone, gastrodin, and p-hydroxybenzyl alcohol contributed to the attenuation of EAAs toxicity Furthermore, apigenin, naringenin, calycosin, gastrodin, and β-elemene accelerated the repair of brain ischemic tissue by up-regulating the expression of TGF-β1 levels.Conclusions: The present study identifies the active ingredients of NSTC and illustrates the underlying mechanism using a combination of network pharmacology, transcriptomics analysis, and pharmacological experiments.

scholarly journals The study of neuroprotective effects and underlying mechanism of Naoshuantong capsule on ischemia stroke mice

2020 ◽  
Author(s):  
Lvkeng Luo ◽  
Shuling Wu ◽  
Ruiqi Chen ◽  
Hongyu Rao ◽  
Wei Peng ◽  
...  
Keyword(s):  
Underlying Mechanism ◽  
Acute Stage ◽  
Network Pharmacology ◽  
Protective Effects ◽  
Active Ingredients ◽  
Nissl Staining ◽  
Neuroprotective Effects ◽  
Severity Scores ◽  
Anti Inflammatory ◽  
Underlying Mechanisms

Abstract Background: Naoshuantong capsule (NSTC) is an oral Chinese medicine formula composed of Typhae Pollen, Radix Paeoniae Rubra, Curcumae Radix, Gastrodiae Rhizoma and Radix Rhapontici. It has been widely used at the acute and recovery stage of ischemic stroke since 2001. Comparing with its wide clinical application, there are only few studies emphasize on investigating its pharmacological effects.Methods:To more generally elucidate the underlying mechanisms in this study, we identified active ingredients in NSTC by a network pharmacology approach based on transcriptomics analysis and pharmacological experiments. Modified neurological severity scores and morphometric analysis using Nissl staining were employed to evaluate the neuroprotective effects of NSTC on ischemia stroke in mice.Results: The results showed that NSTC had preventive and protective effects on ischemia stroke, featuring repair of brain tissue during the sub-acute stage of stroke. This may attribute to the underlying mechanisms including anti-inflammatory, antioxidant, and anti-apoptotic activities, as well as an attenuation of excitatory amino acids (EAAs) toxicity of the active ingredients, especially the most active apigenin, from NSTC. Specifically, naringenin, calycosin, gastrodin, caffeic acid, paeoniflorin, and β -elemene seem to be also pharmacological active substances responsible for the anti-inflammatory effects. Meanwhile, 13-hydroxygemone, gastrodin, and p-hydroxybenzyl alcohol contributed to the attenuation of EAAs toxicity Furthermore, apigenin, naringenin, calycosin, gastrodin, and β-elemene accelerated the repair of brain ischemic tissue by up-regulating the expression of TGF-β1 levels.Conclusions: The present study identifies the active ingredients of NSTC and illustrates the underlying mechanism using a combination of network pharmacology, transcriptomics analysis, and pharmacological experiments.

scholarly journals Network Pharmacology Analysis of the Identification of Phytochemicals and Therapeutic Mechanisms of Paeoniae Radix Alba for the Treatment of Asthma

2021 ◽  
Vol 2021 ◽  
pp. 1-11
Author(s):  
Jingwei Wang ◽  
Ling Peng ◽  
Lu Jin ◽  
Huiying Fu ◽  
Qiyang Shou
Keyword(s):  
Enrichment Analysis ◽  
Biological Information ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Clinical Effects ◽  
Active Ingredients ◽  
Annotation Database ◽  
Kegg Pathways ◽  
Therapeutic Mechanisms ◽  
Paeoniae Radix

Background. Paeoniae Radix Alba (PRA), the root of the plant Paeonia lactiflora Pall., has been suggested to play an important role for the treatment of asthma. A biochemical understanding of the clinical effects of Paeoniae Radix Alba is needed. Here, we explore the phytochemicals and therapeutic mechanisms via a systematic and comprehensive network pharmacology analysis. Methods. Through TCMSP, PubChem, GeneCards database, and SwissTargetPrediction online tools, potential targets of active ingredients from PRA for the treatment of asthma were obtained. Cytoscape 3.7.2 was used to determine the target of active ingredients of PRA. Target protein interaction (PPI) network was constructed through the STRING database. The Gene Ontology (GO) biological process and Kyoto Encyclopedia of Genes and Genes (KEGG) pathway enrichment analysis were analyzed through the biological information annotation database (DAVID). Results. Our results indicate that PRA contains 21 candidate active ingredients with the potential to treat asthma. The enrichment analysis of GO and KEGG pathways found that the treatment of asthma by PRA may be related to the process of TNF (tumor necrosis factor) release, which can regulate and inhibit multiple signaling pathways such as ceramide signaling. Conclusions. Our work provides a phytochemical basis and therapeutic mechanisms of PRA for the treatment of asthma, which provides new insights on further research on PRA.

scholarly journals The study of neuroprotective effects and underlying mechanism of Naoshuantong capsule on ischemia stroke mice

2020 ◽  
Author(s):  
Lvkeng Luo ◽  
Shuling Wu ◽  
Ruiqi Chen ◽  
Hongyu Rao ◽  
Wei Peng ◽  
...  
Keyword(s):  
Underlying Mechanism ◽  
Acute Stage ◽  
Network Pharmacology ◽  
Protective Effects ◽  
Active Ingredients ◽  
Nissl Staining ◽  
Neuroprotective Effects ◽  
Severity Scores ◽  
Anti Inflammatory ◽  
Underlying Mechanisms

Abstract Background Naoshuantong capsule (NSTC) is an oral Chinese medicine formula composed of Typhae Pollen (TP), Radix Paeoniae Rubra (PR), Curcumae Radix (CR), Gastrodiae Rhizoma (GR) and Radix Rhapontici (RR). It has been widely used at the acute and recovery stage of ischemic stroke since 2001. Comparing with its wide clinical application, there are only few studies emphasize on investigating its pharmacological effects. Methods To more generally elucidate the underlying mechanisms in this study, we identified active ingredients in NSTC by a network pharmacology approach based on transcriptomics analysis and pharmacological experiments. Modified neurological severity scores (mNSS) and morphometric analysis using Nissl staining were employed to evaluate the neuroprotective effects of NSTC on ischemia stroke in mice. Results The results showed that NSTC had preventive and protective effects on ischemia stroke, featuring repair of brain tissue during the sub-acute stage of stroke. This may attribute to the underlying mechanisms including anti-inflammatory, antioxidant, and anti-apoptotic activities, as well as an attenuation of excitatory amino acids (EAAs) toxicity of the active ingredients, especially the most active apigenin, from NSTC. Specifically, naringenin, calycosin, gastrodin, caffeic acid, paeoniflorin, and β -elemene seem to be also pharmacological active substances responsible for the anti-inflammatory effects. Meanwhile, 13-hydroxygemone, gastrodin, and p-hydroxybenzyl alcohol contributed to the attenuation of EAAs toxicity Furthermore, apigenin, naringenin, calycosin, gastrodin, and β-elemene accelerated the repair of brain ischemic tissue by up-regulating the expression of TGF-β1 levels. Conclusions The present study identifies the active ingredients of NSTC and illustrates the underlying mechanism using a combination of network pharmacology, transcriptomics analysis, and pharmacological experiments.

scholarly journals A Network Pharmacology Approach to Reveal the Underlying Mechanisms of Artemisia annua on the Treatment of Hepatocellular Carcinoma

2021 ◽  
Vol 2021 ◽  
pp. 1-9 ◽  
Author(s):  
Shuqiao Zhang ◽  
Zhuomao Mo ◽  
Shijun Zhang ◽  
Xinyu Li
Keyword(s):  
Hepatocellular Carcinoma ◽  
Signaling Pathway ◽  
Tumor Invasion ◽  
Artemisia Annua ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Ppi Network ◽  
Invasion And Metastasis ◽  
Active Ingredients ◽  
Underlying Mechanisms

Objective. To investigate the potential active ingredients and underlying mechanisms of Artemisia annua (AA) on the treatment of hepatocellular carcinoma (HCC) based on network pharmacology. Methods. In the present study, we used a network pharmacological method to predict its underlying complex mechanism of treating HCC. First, we obtained relative compounds of AA based on the traditional Chinese medicine systems pharmacology (TCMSP) database and collected potential targets of these compounds by target fishing. Then, we built HCC-related targets target by the oncogenomic database of hepatocellular carcinoma (OncoDB.HCC) and biopharmacological network (PharmDB-K) database. Based on the matching results between AA potential targets and HCC targets, we built a protein-protein interaction (PPI) network to analyze the interactions among these targets and screen the hub targets by topology. Furthermore, the function annotation and signaling pathways of key targets were performed by Gene Oncology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis using DAVID tools. Finally, the binding capacity between active ingredients and key targets was validated by molecular docking. Results. A total of 19 main active ingredients of AA were screened as target prediction; then, 25 HCC-related common targets were seeked out via multiple HCC databases. The areas of nodes and corresponding degree values of EGFR, ESR1, CCND1, MYC, EGF, and PTGS2 were larger and could be easily found in the PPI network. Furthermore, GO and KEGG enrichment analysis showed that these key targets were significantly involved in multiple biological processes and pathways which participated in tumor cell proliferation, apoptosis, angiogenesis, tumor invasion, and metastasis to accomplish the anti-HCC activity. The molecular docking analysis showed that quercetin could stably bind to the active pocket of EGFR protein 4RJ5 via LibDock. Conclusion. The anticancer effects of AA on HCC were predicted to be associated with regulating tumor cell proliferation, apoptosis, angiogenesis, tumor invasion, and metastasis via various pathways such as the EGFR signaling pathway, ESR1 signaling pathway, and CCND1 signaling pathway. It is suggested that AA might be developed as a broad-spectrum antitumor drug based on its characteristics of multicomponent, multipath, and multitarget.

scholarly journals Uncovering the underlying mechanisms of Compound Yuxingcao Mixture in the treatment of COVID-19 based on network pharmacology

2020 ◽  
Author(s):  
Xiaoyue Chen ◽  
Yongqiang Zhang ◽  
Dongbo Yuan ◽  
Bin Hu ◽  
Guohua Zhu ◽  
...  
Keyword(s):  
Binding Energy ◽  
Inflammatory Responses ◽  
Interaction Network ◽  
Enrichment Analysis ◽  
Immune Defense ◽  
Network Pharmacology ◽  
Active Ingredients ◽  
Docking Approach ◽  
Underlying Mechanisms ◽  
Novel Coronavirus

Abstract Background and objective: The novel coronavirus named COVID-19 emerged in Wuhan, China in December, 2019 and has spread rapidly in China and around the world. The traditional Chinese medicine Compound Yuxingcao Mixture (CYM) has been recommended in recent editions of the national guideline while the underlying mechanisms are still unclear. In this study, we analyzed the effectiveness and potential mechanisms of CYM on COVID-19 based on network pharmacology and molecular docking approach. Methods: The active ingredients and potential targets of CYM were screened using TCMSP and STITCH databases. Genes related severe acute respiratory syndromes (SARS) and Middle East respiratory syndrome (MERS) were queried on the DisGeNET and MalaCards databases. CYM-COVID-19 common target protein interaction network was established by STRING database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted to generate the relative pathways based on KOBAS databases. In addition, the possible binding site of screened compounds were also predicted by Autodock vina software. Results: A total of 103 active ingredients and 205 putative targets were screened from CYM, of which 32 overlapped with the targets of COVID-19 and were considered therapeutic targets. The analysis of the network diagram demonstrated that the CYM activity of ingredients of quercetin, luteolin, β-sitosterol and kaempferol may play a crucial role in treating COVID-19 by regulating TNF, IL-6, IL-1β, etc. The analysis of molecular binding energy showed that β-sitosterol had the lowest binding energy with COVID-19 3CLpro (-8.63 kJ/mol). GO and KEGG enrichment analysis revealed that these targets were closely associated with inflammatory responses and immune defense processes. Conclusion: In summary, our study identified the potential mechanisms and targets of CYM for the prevention of COVID-19, providing directions for further clinical research.

scholarly journals Potential Mechanism of Guizhi Decoction in Hypertension Treatment Based on Network Pharmacology and Dahl Salt-Sensitive Rat Model

2020 ◽  
Author(s):  
Ji-ye Chen ◽  
Yong-jian Zhang ◽  
Yong-cheng Wang ◽  
Guo-feng Zhou ◽  
Xiao Li
Keyword(s):  
Rat Model ◽  
Matrix Metalloproteinase 2 ◽  
Network Pharmacology ◽  
Therapeutic Effects ◽  
Active Ingredients ◽  
Multiple Networks ◽  
Guizhi Decoction ◽  
Treatment Of Hypertension ◽  
Underlying Mechanisms ◽  
Analysis Platform

Abstract Background Guizhi decoction (GZD), a classical Chinese herbal formula, has been widely used to treat hypertension, but its underlying mechanisms remain elusive. The present study aimed to explore its therapeutic effects and potential mechanisms in the treatment of hypertension using network pharmacology and experimental validation. Methods The active ingredients and corresponding targets were collected from Traditional Chinese Medicine Systems Pharmacology database and Analysis Platform (TCMSP). The targets related to hypertension were identified from multiple databases, and multiple networks were constructed to identify key compounds, hub targets, and main biological processes and pathways of GZD against hypertension. The Surflex-Dock software was used to validate the binding affinity between key targets and their corresponding active compounds. The Dahl salt-sensitive rat model was used to evaluate the therapeutic effects of GZD on hypertension. Results A total of 112 active ingredients, 222 targets of GZD and 341 hypertension- related targets were obtained. Furthermore, 56 overlapping targets were identified, five of which were determined as the hub targets to perform experimental verification, including interleukin 6 (IL-6), C-C motif chemokine 2 (CCL2), IL-1β, matrix metalloproteinase 2(MMP-2), and MMP9. Pathway enrichment

scholarly journals Network Pharmacology-Based Investigation of the Mechanism of Action of Plantaginis Herba in Hyperuricemia Treatment

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Rong Tang ◽  
Xiaoqing Peng ◽  
Yan Wang ◽  
Xiaohong Zhou ◽  
Hong Liu
Keyword(s):  
Signaling Pathways ◽  
Enrichment Analysis ◽  
Mendelian Inheritance ◽  
Network Pharmacology ◽  
Ppi Network ◽  
Active Ingredients ◽  
Bioinformatics Analyses ◽  
Network Construction ◽  
Kegg Analysis ◽  
Underlying Mechanisms

This study used a network pharmacology approach to investigate the potential active ingredients of Plantaginis Herba and its underlying mechanisms in hyperuricemia treatment. The potential active ingredients of Plantaginis Herba were obtained from TCMSP and ETCM databases, and the potential targets of the active ingredients were predicted using the Swiss TargetPrediction database. The potential therapeutic targets of hyperuricemia were retrieved from the GeneCards, DisGeNET, and Online Mendelian Inheritance in Man (OMIM) databases. Then, the integrative bioinformatics analyses of candidates were performed by GO analysis, KEGG analysis, and PPI network construction. There were 15 predicted active ingredients in Plantaginis Herba and 41 common targets that may be involved in the treatment of hyperuricemia. A total of 61 GO annotations and 35 signaling pathways were identified by enrichment analysis ( P < 0.01 ). The underlying mechanisms of Plantaginis Herba may be related to insulin resistance, PI3K/AKT, TNF, VEGF, AMPK, and glucagon signaling pathways. Thus, the present study provided potential and promising strategies of Plantaginis Herba for hyperuricemia treatment.

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