Potential compound from herbal food of Rhizoma Polygonati for treatment of COVID-19 analyzed by network pharmacology: Viral and cancer signaling mechanisms

Mu, Chenglin; Sheng, Yifan; Wang, Qian; Amin, Amr; Li, Xugang; Xie, Yingqiu

doi:10.1016/j.jff.2020.104149

Cited by 104 publications

(71 citation statements)

References 27 publications

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“…In this study, we used Autodock4 docking program to investigate binding modes of a total 2177 ligands in binding site of M pro enzyme of SARS-CoV-2 . Researchers have been making many efforts to find or develop appropriate drug candidates against possible drug targets of SARS-CoV-2 since arising COVID-19 outbreak by using repurposing drugs or using different ligand sources [ [27] , [28] , [29] , [30] , [31] , [32] , [33] ]. For same goal, we have used different set of ligands in the current study.…”

Section: Resultsmentioning

confidence: 99%

A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme

Ercan

Çınar

2021

Journal of the Indian Chemical Society

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Section: Resultsmentioning

confidence: 99%

A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme

Ercan

Çınar

2021

Journal of the Indian Chemical Society

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“…From TCMSP, one hundred and twenty-nine ingredients in ginseng leaves were acquired. Since OB and DL represent the most important pharmacokinetic properties, OB ≥ 30% and DL ≥ 0.18 were set as the limitation for the active ingredients 13 , 14 . There were nine compounds meeting the parameter.…”

Section: Resultsmentioning

confidence: 99%

Immunoregulatory mechanism studies of ginseng leaves on lung cancer based on network pharmacology and molecular docking

Huang

et al. 2021

Sci Rep

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Panax ginseng is one of the oldest and most generally prescribed herbs in Eastern traditional medicine to treat diseases. Several studies had documented that ginseng leaves have anti-oxidative, anti-inflammatory, and anticancer properties similar to those of ginseng root. The aim of this research was to forecast of the molecular mechanism of ginseng leaves on lung cancer by molecular docking and network pharmacology so as to decipher ginseng leaves' entire mechanism. The compounds associated with ginseng leaves were searched by TCMSP. TCMSP and Swiss Target Prediction databases were used to sort out the potential targets of the main chemical components. Targets were collected from OMIM, PharmGKB, TTD, DrugBank and GeneCards which related to immunity and lung cancer. Ginseng leaves exert its lung cancer suppressive function by regulating the several signaling proteins, such as JUN, STAT3, AKT1, TNF, MAPK1, TP53. GO and KEGG analyses indicated that the immunoreaction against lung cancer by ginseng leaves might be related to response to lipopolysaccharide, response to oxidative stress, PI3K-Akt, MAPK and TNF pathway. Molecular docking analysis demonstrated that hydrogen bonding was interaction's core forms. The results of CCK8 test and qRT-PCR showed that ginseng leaves inhibit cell proliferation and regulates AKT1 and P53 expression in A549. The present study clarifies the mechanism of Ginseng leaves against lung cancer and provides evidence to support its clinical use.

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“…We used information in the TCMSP (http://lsp.nwu.edu.cn/ tcmsp.php) and Swiss Target prediction (STP, https://www. swisstargetprediction.ch/) to extract protein targets for each CRP component (Mu et al, 2020). After removing redundant information, the targets that could interact with each CRP component were retained.…”

Section: Identification Of the Related Targets And Gene Symbols Of Crp Compoundsmentioning

confidence: 99%

“…The gene targets for LI was obtained from the GeneCards database (https://www.genecards.org/, version 4.9.0) and the Online Mendelian Inheritance in Man database (OMIM, http://www.omim.org/, updated on February 28, 2019) (Mu et al, 2020;Xu et al, 2020). We performed keyword searches using "liver injury" and carefully screened the results.…”

Section: Acquisition Of Liver Injury Gene Targetsmentioning

confidence: 99%

Systems Pharmacology Study of the Anti-Liver Injury Mechanism of Citri Reticulatae Pericarpium

Yang

et al. 2021

Front. Pharmacol.

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Liver diseases are mostly triggered by oxidative stress and inflammation, leading to extracellular matrix overproduction and prone to develop into liver fibrosis, cirrhosis and hepatocellular carcinoma. Liver injury (LI) refers to various pathogenic factors leading to the destruction of stem cells that then affect the liver’s normal function, causing a series of symptoms and abnormal liver function indicators. Citri Reticulatae Pericarpium (CRP) is one of the most commonly used traditional Chinese medicines; it contains flavonoids including hesperidin, nobiletin, and tangeretin. CRP has antibacterial, antioxidant, and antitumor effects that reduce cholesterol, prevent atherosclerosis and decrease LI. Here we analyzed the components of CRP and their targets of action in LI treatment and assessed the relationships between them using a systems pharmacology approach. Twenty-five active ingredients against LI were selected based on ultra-performance liquid chromatography-quadrupole/time-of-flight mass spectrometry results and databases. The drug targets and disease-related targets were predicted. The 117 common targets were used to construct a protein-protein interaction network. We identified 1719 gene ontology items in LI treatment, including 1,525 biological processes, 55 cellular components, and 139 molecular functions. These correlated with 49 Kyoto Encyclopedia of Genes and Genomes pathways. These findings suggest that CRP may counteract LI by affecting apoptotic, inflammatory, and energy metabolism modules. In vitro experiments suggested that the mechanism may involve hesperidin and naringenin acting on CASP3, BAX, and BCL2 to affect the apoptosis pathway, attenuating liver fibrosis. Naringenin significantly inhibited AKT1 phosphorylation, which in turn mediated activation of the phosphoinositide 3-kinase-Akt signaling pathways against LI. This study provides a reference for systematically exploring the mechanism of CRP’s anti-LI action and is also expands of the application of systems pharmacology in the study of traditional Chinese medicine.

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Potential compound from herbal food of Rhizoma Polygonati for treatment of COVID-19 analyzed by network pharmacology: Viral and cancer signaling mechanisms

Abstract: Graphical abstract

Cited by 104 publications

References 27 publications

A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme

A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme

Immunoregulatory mechanism studies of ginseng leaves on lung cancer based on network pharmacology and molecular docking

Systems Pharmacology Study of the Anti-Liver Injury Mechanism of Citri Reticulatae Pericarpium

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