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Corilagin prevents SARS-CoV-2 infection by targeting RBD-ACE2 binding.

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Pubmed体系：
作者：
Yang Li Jun[1] * ; Chen Rui Hong[1] * ; Hamdoun Sami[1,4] ; Coghi Paolo[2] ; Ng Jerome P L[1] ; Zhang David Wei[1] ; Guo Xiaoling[3] ; Xia Chenglai[3] ; Law Betty Yuen Kwan[1] ; Wong Vincent Kam Wai[1] ;
机构： [1]Dr. Neher’s Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Avenida Wai Long, Taipa, Macau, China [2]School of Pharmacy, Macau University of Science and Technology, Macau, China [3]Affiliated Foshan Maternity & Child Healthcare Hospital, Southern Medical University, Foshan, Guangdong, 528000, China [4]Department of Pharmaceutics, Faculty of Pharmacy, University of Khartoum, Khartoum, Sudan
出处：
DOI： 10.1016/j.phymed.2021.153591
ISSN：

关键词： Corilagin COVID-19 RBD-ACE2 inhibitor SARS-CoV-2 Viral infection

摘要：
The outbreak of coronavirus (SARS-CoV-2) disease caused more than 100,000,000 people get infected and over 2,200,000 people being killed worldwide. However, the current developed vaccines or drugs may be not effective in preventing the pandemic of COVID-19 due to the mutations of coronavirus and the severe side effects of the newly developed vaccines. Chinese herbal medicines and their active components play important antiviral activities. Corilagin exhibited antiviral effect on human immunodeficiency virus (HIV), hepatitis C virus (HCV) and Epstein-Barr virus (EBV). However, whether it blocks the interaction between SARS-CoV-2 RBD and hACE2 has not been elucidated. To characterize an active compound, corilagin derived from Phyllanthus urinaria as potential SARS-CoV-2 entry inhibitors for its possible preventive application in daily anti-virus hygienic products. Computational docking coupled with bio-layer interferometry, BLI were adopted to screen more than 1800 natural compounds for the identification of SARS-CoV-2 spike-RBD inhibitors. Corilagin was confirmed to have a strong binding affinity with SARS-CoV-2-RBD or human ACE2 (hACE2) protein by the BLI, ELISA and immunocytochemistry (ICC) assay. Furthermore, the inhibitory effect of viral infection of corilagin was assessed by in vitro pseudovirus system. Finally, the toxicity of corilagin was examined by using MTT assay and maximal tolerated dose (MTD) studies in C57BL/6 mice. Corilagin preferentially binds to a pocket that contains residues Cys 336 to Phe 374 of spike-RBD with a relatively low binding energy of -9.4 kcal/mol. BLI assay further confirmed that corilagin exhibits a relatively strong binding affinity to SARS-CoV-2-RBD and hACE2 protein. In addition, corilagin dose-dependently blocks SARS-CoV-2-RBD binding and abolishes the infectious property of RBD-pseudotyped lentivirus in hACE2 overexpressing HEK293 cells, which mimicked the entry of SARS-CoV-2 virus in human host cells. Finally, in vivo studies revealed that up to 300 mg/kg/day of corilagin was safe in C57BL/6 mice. Our findings suggest that corilagin could be a safe and potential antiviral agent against the COVID-19 acting through the blockade of the fusion of SARS-CoV-2 spike-RBD to hACE2 receptors. Corilagin could be considered as a safe and environmental friendly anti-SARS-CoV-2 agent for its potential preventive application in daily anti-virus hygienic products. Copyright © 2021 The Author(s). Published by Elsevier GmbH.. All rights reserved.

基金：
This work was supported by Faculty Research Grant from Macau University of Science and Technology (project code: FRG-20-001), FDCT grant from the Macao Science and Technology Development Fund (project code: 0096/2020/A; Dr. Neher’s Biophysics Laboratory for Innovative Drug Discovery, project code: 001/2020/ALC) and Foshan Medicine Dengfeng Project of China (2019–2021).
语种：
外文
PubmedID：
中科院(CAS)分区：
出版当年[2020]版：
大类 | 2 区 医学
小类 | 1 区 全科医学与补充医学 2 区 药物化学 2 区 药学 2 区 植物科学
最新[2025]版：
大类 | 1 区 医学
小类 | 1 区 药物化学 1 区 全科医学与补充医学 1 区 药学 1 区 植物科学
第一作者：
第一作者机构： [1]Dr. Neher’s Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Avenida Wai Long, Taipa, Macau, China
共同第一作者：
通讯作者：
推荐引用方式(GB/T 7714)：
Yang Li Jun,Chen Rui Hong,Hamdoun Sami,et al.Corilagin prevents SARS-CoV-2 infection by targeting RBD-ACE2 binding.[J].Phytomedicine : international journal of phytotherapy and phytopharmacology.2021,87:153591.doi:10.1016/j.phymed.2021.153591.
APA：
Yang Li Jun,Chen Rui Hong,Hamdoun Sami,Coghi Paolo,Ng Jerome P L...&Wong Vincent Kam Wai.(2021).Corilagin prevents SARS-CoV-2 infection by targeting RBD-ACE2 binding..Phytomedicine : international journal of phytotherapy and phytopharmacology,87,
MLA：
Yang Li Jun,et al."Corilagin prevents SARS-CoV-2 infection by targeting RBD-ACE2 binding.".Phytomedicine : international journal of phytotherapy and phytopharmacology 87.(2021):153591

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