TY - JOUR
T1 - Potential compound from herbal food of Rhizoma Polygonati for treatment of COVID-19 analyzed by network pharmacology
T2 - Viral and cancer signaling mechanisms
AU - Mu, Chenglin
AU - Sheng, Yifan
AU - Wang, Qian
AU - Amin, Amr
AU - Li, Xugang
AU - Xie, Yingqiu
N1 - Publisher Copyright:
© 2020 The Author(s)
PY - 2021/2
Y1 - 2021/2
N2 - 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.
AB - 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.
KW - COVID-19
KW - Molecular docking
KW - Network pharmacology
KW - New coronavirus pneumonia
KW - Rhizoma polygonati
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U2 - 10.1016/j.jff.2020.104149
DO - 10.1016/j.jff.2020.104149
M3 - Article
AN - SCOPUS:85098710342
SN - 1756-4646
VL - 77
JO - Journal of Functional Foods
JF - Journal of Functional Foods
M1 - 104149
ER -