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Lucidenic acid A inhibits the binding of hACE2 receptor with spike protein to prevent SARS-CoV-2 invasion.
Xu, Juan; Yang, WenTao; Pan, YiFeng; Xu, HaiShun; He, Liang; Zheng, BingSong; Xie, YingQiu; Wu, XueQian.
  • Xu J; State Key Laboratory of Subtropical Silviculture, Zhejiang A&F University, Lin'an, 311300, PR China; Zhejiang Provincial Key Laboratory of Characteristic Traditional Chinese Medicine Resources Protection and Innovative Utilization, Zhejiang A&F University, Lin'an, 311300, PR China.
  • Yang W; State Key Laboratory of Subtropical Silviculture, Zhejiang A&F University, Lin'an, 311300, PR China; Zhejiang Provincial Key Laboratory of Characteristic Traditional Chinese Medicine Resources Protection and Innovative Utilization, Zhejiang A&F University, Lin'an, 311300, PR China.
  • Pan Y; Hangzhou Xihu District Center for Disease Control and Prevention, Hangzhou, 310030, PR China.
  • Xu H; State Key Laboratory of Subtropical Silviculture, Zhejiang A&F University, Lin'an, 311300, PR China.
  • He L; Zhejiang Provincial Academy of Forestry, Hangzhou, 310000, Zhejiang, China.
  • Zheng B; State Key Laboratory of Subtropical Silviculture, Zhejiang A&F University, Lin'an, 311300, PR China.
  • Xie Y; Department of Biology, School of Sciences and Humanities, Nazarbayev University, Nur-Sultan, Kazakhstan.
  • Wu X; State Key Laboratory of Subtropical Silviculture, Zhejiang A&F University, Lin'an, 311300, PR China; Zhejiang Provincial Key Laboratory of Characteristic Traditional Chinese Medicine Resources Protection and Innovative Utilization, Zhejiang A&F University, Lin'an, 311300, PR China; National
Food Chem Toxicol ; 169: 113438, 2022 Nov.
Статья в английский | MEDLINE | ID: covidwho-2049210
ABSTRACT
High infection caused by mutations of SARS-CoV-2 calls for new prevention strategy. Ganoderma lucidum known as a superior immunoenhancer exhibits various antiviral effects, whether it can resist SARS-CoV-2 remains unclear. Herein, virtual screening combined with in vitro hACE2 inhibition assays were used to investigate its anti SARS-CoV-2 effect. Potential 54 active components, 80 core targets and 20 crucial pathways were identified by the component-target-pathway network. The binding characters of these components to hACE2 and its complexes with spike protein including omicron variant was analyzed by molecular docking. Lucidenic acid A was selected as the top molecule with high affinity to all receptors by forming hydrogen bonds. Molecular dynamics simulation showed it had good binding stability with the receptor proteins. Finally, in vitro FRET test demonstrated it inhibited the hACE2 activity with IC50 2 µmol/mL. Therefore, lucidenic acid A can prevent the virus invasion by blocking hACE2 binding with SARS-CoV-2.
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Полный текст: Имеется в наличии Коллекция: Международные базы данных база данных: MEDLINE Основная тема: Antiviral Agents / Cholic Acids / Virus Internalization / Spike Glycoprotein, Coronavirus / Angiotensin-Converting Enzyme 2 / SARS-CoV-2 / COVID-19 Темы: Варианты Пределы темы: Люди Язык: английский Журнал: Food Chem Toxicol Год: 2022 Тип: Статья

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Полный текст: Имеется в наличии Коллекция: Международные базы данных база данных: MEDLINE Основная тема: Antiviral Agents / Cholic Acids / Virus Internalization / Spike Glycoprotein, Coronavirus / Angiotensin-Converting Enzyme 2 / SARS-CoV-2 / COVID-19 Темы: Варианты Пределы темы: Люди Язык: английский Журнал: Food Chem Toxicol Год: 2022 Тип: Статья