scholarly journals Study on the Sleep-Improvement Effects of Hemerocallis citrina Baroni in Drosophila melanogaster and Targeted Screening to Identify Its Active Components and Mechanism

Foods ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 883
Author(s):  
Yuxuan Liang ◽  
Riming Huang ◽  
Yongchun Chen ◽  
Jing Zhong ◽  
Jie Deng ◽  
...  
Keyword(s):  
Drosophila Melanogaster ◽  
High Resolution Mass Spectrometry ◽  
Sleep Time ◽  
Network Pharmacology ◽  
Dependent Manner ◽  
Bioactive Components ◽  
Active Components ◽  
Edible Plant ◽  
Hemerocallis Citrina ◽  
Ultrahigh Performance Liquid Chromatography

Hemerocallis citrina Baroni (HC) is an edible plant in Asia, and it has been traditionally used for sleep-improvement. However, the bioactive components and mechanism of HC in sleep-improvement are still unclear. In this study, the sleep-improvement effect of HC hydroalcoholic extract was investigated based on a caffeine-induced insomnia model in Drosophila melanogaster (D. melanogaster), and the ultrahigh-performance liquid chromatography coupled with electrospray ionization quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-ESI-Orbitrap-MS) and network pharmacology strategy were further combined to screen systematically the active constituents and mechanism of HC in sleep-improvement. The results suggested HC effectively regulated the number of nighttime activities and total sleep time of D. melanogaster in a dose-dependent manner and positively regulated the sleep bouts and sleep duration of D. melanogaster. The target screening suggested that quercetin, luteolin, kaempferol, caffeic acid, and nicotinic acid were the main bioactive components of HC in sleep-improvements. Moreover, the core targets (Akt1, Cat, Ple, and Sod) affected by HC were verified by the expression of the mRNA of D. melanogaster. In summary, this study showed that HC could effectively regulate the sleep of D. melanogaster and further clarifies the multi-component and multi-target features of HC in sleep-improvement, which provides a new insight for the research and utilization of HC.

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 Network pharmacology and molecular docking reveal the effective substances and active mechanisms of Dalbergia Odoriferain protecting against ischemic stroke

PLoS ONE ◽  
2021 ◽  
Vol 16 (9) ◽  
pp. e0255736
Author(s):  
Kedi Liu ◽  
Xingru Tao ◽  
Jing Su ◽  
Fei Li ◽  
Fei Mu ◽  
...  
Keyword(s):  
Ischemic Stroke ◽  
Molecular Docking ◽  
Cerebral Infarction ◽  
Binding Sites ◽  
Network Pharmacology ◽  
Dependent Manner ◽  
Bioactive Components ◽  
Neurological Score ◽  
Infarction Volume

Dalbergia Odorifera (DO) has been widely used for the treatment of cardiovascular and cerebrovascular diseasesinclinical. However, the effective substances and possible mechanisms of DO are still unclear. In this study, network pharmacology and molecular docking were used toelucidate the effective substances and active mechanisms of DO in treating ischemic stroke (IS). 544 DO-related targets from 29 bioactive components and 344 IS-related targets were collected, among them, 71 overlapping common targets were got. Enrichment analysis showed that 12 components were the possible bioactive components in DO, which regulating 9 important signaling pathways in 3 biological processes including ‘oxidative stress’ (KEGG:04151, KEGG:04068, KEGG:04915), ‘inflammatory response’(KEGG:04668, KEGG:04064) and ‘vascular endothelial function regulation’(KEGG:04066, KEGG:04370). Among these, 5 bioactive components with degree≥20 among the 12 potential bioactive components were selected to be docked with the top5 core targets using AutodockVina software. According to the results of molecular docking, the binding sites of core target protein AKT1 and MOL002974, MOL002975, and MOL002914 were 9, 8, and 6, respectively, and they contained 2, 1, and 0 threonine residues, respectively. And some binding sites were consistent, which may be the reason for the similarities and differences between the docking results of the 3 core bioactive components. The results of in vitro experiments showed that OGD/R could inhibit cell survival and AKT phosphorylation which were reversed by the 3 core bioactive components. Among them, MOL002974 (butein) had a slightly better effect. Therefore, the protective effect of MOL002974 (butein) against cerebral ischemia was further evaluated in a rat model of middle cerebral artery occlusion (MCAO) by detecting neurological score, cerebral infarction volume and lactate dehydrogenase (LDH) level. The results indicated that MOL002974 (butein) could significantly improve the neurological score of rats, decrease cerebral infarction volume, and inhibit the level of LDH in the cerebral tissue and serum in a dose-dependent manner. In conclusion, network pharmacology and molecular docking predicate the possible effective substances and mechanisms of DO in treating IS. And the results are verified by the in vitro and in vivo experiments. This research reveals the possible effective substances from DO and its active mechanisms for treating IS and provides a new direction for the secondary development of DO for treating IS.

scholarly journals Mechanism Underlying the Anxiolytic Effect of Cinnamomum Camphora Chvar. Borneol Essential Oil Revealed by Network Pharmacology

2021 ◽  
Author(s):  
Shanshan Xiao ◽  
Hang Yu ◽  
Yunfei Xie ◽  
Yahui Guo ◽  
Jiajia Fan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anxiety Disorder ◽  
Central Area ◽  
Anxiolytic Effect ◽  
Network Pharmacology ◽  
Dependent Manner ◽  
Ppi Network ◽  
Active Components ◽  
Network Analyses ◽  
Dose Dependent

Abstract Background: Anxiety disorder, the most common mental health issue, can cause palpitations, fear, and compulsive behavior, and can severely endanger human health. Most drugs to treat anxiety disorder can cause a variety of side effects, therefore, it is important to seek natural and safe complementary and alternative therapies.Methods: The open field (OF), elevated plus maze (EPM), and light-dark box (LDB) tests were used to confirm the anxiolytic effect of BEO in mice. Further, we constructed a component-target-signaling pathway network and a protein-protein interaction (PPI) network for the regulation of anxiety by BEO through pharmacological network analyses, and performed Gene Ontology (GO) enrichment analyses of BEO targets, and analyzed the active components and targets of BEO through molecular docking.Results: In the OF test, BEO significantly prolonged the time spent by the mice in the central area (p < 0.05), in a dose dependent manner (r = 0.9992), and also significantly increased the number of central area entries (p < 0.01). In the EPM test, BEO significantly increased the time spent in the open arms (p < 0.01) and the number of entries into the open arms (p < 0.01) in a dose-dependent manner (r = 0.9733, r = 0.9669). In the LDB tests, BEO significantly increased the light area duration (p < 0.05) and the transition number (p < 0.01) in a dose-dependent manner (r = 0.9166, r = 0.9572), thus confirming its anxiolytic effect. Network pharmacology results showed that 33 active components in BEO acted on 54 targets, mainly through modulation of neuroactive ligand-receptor interactions, G-protein coupled receptor signaling pathways, and RNA polymerase II transcription factor activity. PPI network analysis identified 48 key proteins, including estrogen receptor 1 (ESR1), androgen receptor (AR), and mitogen-activated protein kinase 8 (MAPK8). Molecular docking results showed that the main active components of BEO are borneol, β-caryophyllene, α-cadinol, limonene, and α- selinene, which act on the key targets CNR2, ADRA2B, and ADORA2A.Conclusion: Our results indicated that BEO has multi-component, multi-target, and multi-pathway characteristics, thus providing a theoretical basis for further research on the mechanism of action of BEO as a potential anxiolytic agent.

scholarly journals Anti-Autophagy Mechanism of Zhi Gan Prescription Based on Network Pharmacology in Nonalcoholic Steatohepatitis Rats

2021 ◽  
Vol 12 ◽  
Author(s):  
Chufeng Qin ◽  
Lichuan Luo ◽  
Yusheng Cui ◽  
Li Jiang ◽  
Beilei Li ◽  
...  
Keyword(s):  
Nonalcoholic Steatohepatitis ◽  
Molecular Mechanisms ◽  
Underlying Mechanism ◽  
Network Pharmacology ◽  
Bioactive Components ◽  
High Fat ◽  
Active Components ◽  
Hub Genes ◽  
Nash Model

Background and Aims: Zhi Gan prescription (ZGP) has been clinically proven to exert a favorable therapeutic effect on nonalcoholic steatohepatitis (NASH). This study purpose to reveal the underlying molecular mechanisms of ZGP action in NASH.Methods: Systematic network pharmacology was used to identify bioactive components, potential targets, and the underlying mechanism of ZGP action in NASH. High fat (HF)-induced NASH model rats were used to assess the effect of ZGP against NASH, and to verify the possible molecular mechanisms as predicted by network pharmacology.Results: A total of 138 active components and 366 potential targets were acquired in ZGP. In addition, 823 targets of NASH were also screened. In vivo experiments showed that ZGP significantly improved the symptoms in HF-induced NASH rats. qRT-PCR and western blot analyses showed that ZGP could regulate the hub genes, PTEN, IL-6 and TNF in NASH model rats. In addition, ZGP suppressed mitochondrial autophagy through mitochondrial fusion and fission via the PINK/Parkin pathway.Conclusion: ZGP exerts its effects on NASH through mitochondrial autophagy. These findings provide novel insights into the mechanisms of ZGP in NASH.

scholarly journals Filtration of Active Components with Antioxidant Activity Based on the Differing Antioxidant Abilities of Schisandrae Sphenantherae Fructus and Schisandrae Chinensis Fructus through UPLC/MS Coupling with Network Pharmacology

2021 ◽  
Vol 2021 ◽  
pp. 1-13
Author(s):  
Yang Xin ◽  
Yang Yang ◽  
Kaichen Yu ◽  
Haijun Wang
Keyword(s):  
Antioxidant Activity ◽  
Signaling Pathway ◽  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Network Pharmacology ◽  
Antioxidant Compounds ◽  
Active Components ◽  
Biological Targets ◽  
Q Exactive ◽  
Ultrahigh Performance Liquid Chromatography

This study attempted to filter active components with antioxidant activities based on the differing antioxidant abilities of Schisandrae Sphenantherae Fructus (SSF) and Schisandrae Chinensis Fructus (SCF). First, the antioxidant activity of SSF and SCF was evaluated through the DPPH free radical scavenging method and compared with the half maximal inhibitory concentration (IC50) value. Next, components of SSF and SCF were detected by employing ultrahigh-performance liquid chromatography-Q-Exactive Orbitrap mass spectrometry (UPLC-QEO/MS) technology, and differential compounds were screened out as potential antioxidant compounds by using Compound Discover 3.1 Software. After that step, in order to verify the antioxidant compounds, the network method was applied. Biological targets were searched in the GeneCards database, and that related to antioxidant ability were selected in the Comparative Toxicogenomics Database (CTD). Finally, the pharmacology network was constructed. Results showed that SSF and SCF possessed different compounds and antioxidant abilities. A total of 14 differential compounds such as γ-schizandrin, schisandrin B, schisandrin, and tigloylgomisin H between them were screened out and identified. Twenty targets associated with antioxidant activity contained MAP2K1, MAPK8, RPS6KB1, PRKCB, HIF1A, and so on were investigated. Thirty-six pathways contained HIF-1 signaling pathways, choline metabolism in cancer, serotonergic synapse, Fc epsilon RI signaling pathway, GnRH signaling pathway, and so on related to the above twenty targets were identified. The pharmacology network analysis indicated that the differential components may be helpful in treating various diseases, especially cancer, by exerting antioxidant activity. In conclusion, this study provided a novel method for identifying active components with antioxidant activity in SSF and SCF, and this method may be applicable for the filtration of bioactive components in other herbs.

scholarly journals Ruanjian Sanjie Decoction Induces Apoptosis in Triple-negative Breast Cancer Cells by Downregulating cIAP1/2 and XIAP

2020 ◽  
Author(s):  
Xiumei Zhao ◽  
Tongxing Wang ◽  
Qiang Jia ◽  
Luyao Wang ◽  
Cheng Tan ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
Breast Cancer Cell Lines ◽  
Network Pharmacology ◽  
Therapeutic Effects ◽  
Dependent Manner ◽  
Active Components ◽  
The Core

Abstract Background: Traditional Chinese medicine (TCM) comprises a unique theoretical system developed over thousands of years. The previous study reported that Ruanjian Sanjie (RJSJ) exerts anti-tumor effects by inducing cell apoptosis. However, the mechanism is not clear. Methods: In this study, we investigated the possible mechanism by the strategy of combining network pharmacology analysis with experiment (in vitro and in vivo). First, four kinds of breast cancer cell lines were used to conduct proliferation, apoptosis and cell cycle analysis. Secondly, to study pathophysiological processes of breast cancer at the molecular network level, we for the first time constructed an “integrated apoptosis module network of breast cancer” by assembling the regulatory relationships of canonical apoptosis signaling pathways. Through the strategy of combining network analysis and experiments, we analyzed the main mechanism of RJSJ in breast cancer and screened out the core genes. We further studied the inhibitory effect of RJSJ combined with carboplatin (CBP) in vivo. Finally, the synergistic effect of RJSJ and CBP were analyzed and the potential active components in RJSJ were predicted.Results: This study demonstrated that RJSJ could significantly inhibit breast cancer cell proliferation and induce apoptosis in a concentration-dependent manner. The primary mechanism of RJSJ in the treatment of breast cancer was pro-apoptotic. The core apoptosis genes regulated by RJSJ were cIAP1/2 and XIAP. We also found that RJSJ in combination with CBP tended to synergistically induce apoptosis, which might mainly be achieved through the regulation of multiple targets and pathways. Alexandrin (BX05, XKC02, SCG01), baicalin (BX22), guanosine (BX32), arjunglucoside I (XKC10) etc. were predicted as potential active components.Conclusions: These findings provide the rationale for exploring the therapeutic effects of RJSJ against breast cancer and providing a bridge for the combined use of Chinese and Western medicine.

scholarly journals Extract From Tetrastigma hemsleyanum Leaf Alleviates Pseudomonas aeruginosa Lung Infection: Network Pharmacology Analysis and Experimental Evidence

2021 ◽  
Vol 12 ◽  
Author(s):  
Tian-ling Lou ◽  
Tao Ji ◽  
Xin Peng ◽  
Wei-wei Ji ◽  
Li-xia Yuan ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Animal Experiments ◽  
Reduction Process ◽  
Network Pharmacology ◽  
Dependent Manner ◽  
Active Components ◽  
High Concentration ◽  
Tetrastigma Hemsleyanum ◽  
Anti Inflammatory ◽  
Functional Components

Tetrastigma hemsleyanum Diels &amp; Gilg (T. hemsleyanum) has attracted much attention due to its ability on pneumonia, bronchitis, and immune-related diseases, while its functional components and underlying mechanism of action on pneumonia have not been fully elucidated. Herein, we used a systematic network pharmacology approach to explore the action mechanism of T. hemsleyanum leaf in the treatment of pneumonia. In this study, the results of network pharmacology demonstrated that there were 34 active components and 80 drug–disease targets in T. hemsleyanum leaf, which were strongly in connection with signal transduction, inflammatory response, and the oxidation–reduction process. Subsequently, a mouse model of pneumonia induced by Pseudomonas aeruginosa (P. aeruginosa) was established to validate the predicted results of network pharmacology. In the animal experiments, aqueous extract of T. hemsleyanum leaf (EFT) significantly attenuated the histopathological changes of lung tissue in P. aeruginosa–induced mice and reduced the number of bacterial colonies in BALFs by 96.84% (p &lt; 0.01). Moreover, EFT treatment suppressed the increase of pro-inflammatory cytokines IL-17, IL-6, and TNF-α in lung tissues triggered by P. aeruginosa, which led to the increase of Th17 cells (p &lt; 0.05). High concentration of EFT treatment (2.0 g/kg) obviously increased the anti-inflammatory cytokine levels, accompanied by the enhancement of Treg proportion in a dose-dependent manner and a notable reversal of transcription factor RORγt expression. These findings demonstrated that network pharmacology was a useful tool for TCM research, and the anti-inflammatory effect of EFT was achieved by maintaining Th17/Treg immune homeostasis and thereby suppressing the inflammatory immune response.

scholarly journals Prediction of the anti-inflammatory effects of bioactive components of a Hippocampus species-based TCM formulation on chronic kidney disease using network pharmacology

2021 ◽  
Vol 20 (11) ◽  
pp. 2355-2362
Author(s):  
Lingyu Zhang ◽  
Sitong Lu ◽  
Zhang Hu ◽  
Mingneng Liao ◽  
Chengpeng Li ◽  
...  
Keyword(s):  
Chronic Kidney Disease ◽  
Kidney Disease ◽  
Signaling Pathways ◽  
Target Genes ◽  
Scientific Evidence ◽  
Network Pharmacology ◽  
Bioactive Components ◽  
Active Components ◽  
Pathway Enrichment ◽  
Multiple Signaling

Purpose: To systematically study and predict the therapeutic targets and signaling pathways of Hippocampus (HPC) against chronic kidney disease (CKD) using network pharmacology.Methods: By combining database mining, literature searching, screening of disease targets, and network construction, the effects of various components of HPC on several proteins related to CKD were predicted and the active compounds were screened. Genes related to the selected compounds were linked using the SEA database. The correlation between CKD and genes was determined using OMIM, DisGenNet, and GeneCards databases. Pathway-enrichment analyses of overlapping genes were undertaken using online databases.Results: A total of 144 compounds in HPC were identified. Analyses of clusters suggest that the active components of HPC and the target genes against the inflammation caused by CKD were due to 10 compounds and 25 genes. Metascape results showed that these HPC targets are related to CKD inflammation.Conclusion: The active components of HPC and the target genes against CKD inflammation are involved in multiple signaling pathways, such as AGE-RAGE, TLR, TNF, and NF-κB. This work provides scientific evidence to support the clinical use of HPC against CKD.

scholarly journals A GENETICALLY DISTINCT FORM OF CYCLIC AMP PHOSPHODIESTERASE ASSOCIATED WITH CHROMOMERE 3D4 IN DROSOPHILA MELANOGASTER

Genetics ◽  
1979 ◽  
Vol 91 (3) ◽  
pp. 521-535
Author(s):  
John A Kiger ◽  
Eric Golanty
Keyword(s):  
Drosophila Melanogaster ◽  
Cyclic Amp ◽  
Structural Gene ◽  
Regulatory Gene ◽  
Heat Stability ◽  
Normal Female ◽  
Dependent Manner ◽  
Cyclic Amp Phosphodiesterase ◽  
Heat Stable ◽  
Camp Levels

ABSTRACT Two cyclic AMP phosphodiesterase enzymes (E.C.3.1.4.17) are present in homogenates of adult Drosophila melanogaster. The two enzymes differ from one another in heat stability, affinity for Mg++, Ca++ activation and molecular weight. They do not differ markedly in their affinities for cyclic AMP, and both exhibit anomalous Michaelis-Menten kinetics. The more heatlabile enzyme is controlled in a dosage-dependent manner by chromomere 3D4 of the X chromosome and is absent in flies that are deficient for chromomere 3D4. Chromomere 3D4 is also necessary for the maintenance of normal cAMP levels, for male fertility, and for normal female fertility and oogenesis. The structural gene(s) for the more heat-stable enzyme is located outside of chromomeres 3C12-3D4. Whether 3D4 contains a structural gene, or a regulatory gene necessary for the presence of the labile enzyme, remains to be determined.

Sign in / Sign up

Export Citation Format

Share Document