Potential compound from herbal food of rhizoma polygonati for treatment of COVID-19 analyzed by network pharmacology and molecular docking tech- nology
Autor
Mu, Chenglin
Sheng, Yifan
Wang, Qian
Amin, Amr
Li, Xugang
Xie, Yingqiu
Institución
Resumen
Rhizoma Polygonati (huangjing in Chinese, 黄精) is an herb-homology-food used as
a component of alternative 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 and have a great
potential in treatment of COVID-19.