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

[Display omitted] •Drug targets Network of Rhizoma Polygonati (RP) with COVID-19 were constructed.•High affinity bindings of some RP compound to SARS-CoV-2 targets are simulated.•Potential RP ingredients may act on multiple signaling for COVID-19 treatment. Rhizoma Polygonati (huangjing in Chinese,...

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Veröffentlicht in:Journal of functional foods 2021-02, Vol.77, p.104149-104149, Article 104149
Hauptverfasser: Mu, Chenglin, Sheng, Yifan, Wang, Qian, Amin, Amr, Li, Xugang, Xie, Yingqiu
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Sprache:eng
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Zusammenfassung:[Display omitted] •Drug targets Network of Rhizoma Polygonati (RP) with COVID-19 were constructed.•High affinity bindings of some RP compound to SARS-CoV-2 targets are simulated.•Potential RP ingredients may act on multiple signaling for COVID-19 treatment. Rhizoma Polygonati (huangjing in Chinese, 黄精) is a medicine food homology herb used as a component of traditional Chinese medicine treating COVID-19 in the current pandemic emergency in China but the mechanisms remain elusive. Here using TCMSP and Swiss Target Prediction databases to sort out the potential targets of the main chemical components and GenCLiP3, NCBI, and GeneCard databases to search for COVID-19 related targets, the chemical compound-target-pathway network was analyzed. Each component was molecularly docked with host cell target angiotensin converting enzyme II, SARS-CoV-2 targets Spike protein, RNA-dependent RNA polymerase, or 3CL hydrolase. Our results showed a higher affinity of the compound diosgenin and (+)-Syringaresinol-O-beta-D-glucoside binding to the three SARS-CoV-2 proteins compared to the other compounds tested. Thus, our data suggest that potential compounds in Rhizoma Polygonati may act on different targets with viral and cancer related signaling and have a great potential in treatment of COVID-19.
ISSN:1756-4646
2214-9414
DOI:10.1016/j.jff.2020.104149