About: Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients

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About: Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : wasabi.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients
Creator	Liu, Hong Wu, Yan Liu, Jia Ni, Li Zhang, Lei-Ke Tang, Wei Zuo, Jian-Ping Xiao, Geng-Fu Jiang, Hua-Liang Yu, Kun-Qian Bai, Fang Gao, Mei-Na Hu, Hang-Chen Ke, Chang-Qiang Li, Min-Jun Shang, Wei-Juan Shen, Jing-Shan Su, Hai-Xia Wang, Dao-Wen Xie, Hang Xu, Ye-Chun Yao, Sheng Ye, Yang Zhao, Wen-Feng
source	Medline; PMC
abstract	Human infection with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes coronavirus disease 2019 (COVID-19) and there is no cure currently. The 3CL protease (3CLpro) is a highly conserved protease which is indispensable for CoVs replication, and is a promising target for development of broad-spectrum antiviral drugs. In this study we investigated the anti-SARS-CoV-2 potential of Shuanghuanglian preparation, a Chinese traditional patent medicine with a long history for treating respiratory tract infection in China. We showed that either the oral liquid of Shuanghuanglian, the lyophilized powder of Shuanghuanglian for injection or their bioactive components dose-dependently inhibited SARS-CoV-2 3CLpro as well as the replication of SARS-CoV-2 in Vero E6 cells. Baicalin and baicalein, two ingredients of Shuanghuanglian, were characterized as the first noncovalent, nonpeptidomimetic inhibitors of SARS-CoV-2 3CLpro and exhibited potent antiviral activities in a cell-based system. Remarkably, the binding mode of baicalein with SARS-CoV-2 3CLpro determined by X-ray protein crystallography was distinctly different from those of known 3CLpro inhibitors. Baicalein was productively ensconced in the core of the substrate-binding pocket by interacting with two catalytic residues, the crucial S1/S2 subsites and the oxyanion loop, acting as a “shield” in front of the catalytic dyad to effectively prevent substrate access to the catalytic dyad within the active site. Overall, this study provides an example for exploring the in vitro potency of Chinese traditional patent medicines and effectively identifying bioactive ingredients toward a specific target, and gains evidence supporting the in vivo studies of Shuanghuanglian oral liquid as well as two natural products for COVID-19 treatment.
has issue date	2020-07-31(xsd:dateTime)
bibo:doi	10.1038/s41401-020-0483-6
bibo:pmid	32737471
has license	no-cc
sha1sum (hex)	106fa4eb33b276bcf7f4eb4933d32e3967ce3510
schema:url	https://doi.org/10.1038/s41401-020-0483-6
resource representing a document's title	Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients
has PubMed Central identifier	PMC7393338
has PubMed identifier	32737471
schema:publication	Acta Pharmacol Sin
resource representing a document's body	covid:106fa4eb33b276bcf7f4eb4933d32e3967ce3510#body_text
is schema:about of	named entity 'core' named entity 'COVID-19' named entity 'infection' named entity 'bioactive' named entity 'INVESTIGATED' named entity 'BIOACTIVE COMPONENTS' named entity 'CAUSES' named entity '3CLPRO INHIBITORS' named entity 'BINDING' named entity 'INJECTION' named entity 'POTENCY' named entity 'KNOWN' named entity 'EXAMPLE' named entity 'INFECTION' named entity 'RESPIRATORY TRACT INFECTION' named entity 'X-RAY' named entity 'REPLICATION' named entity 'ANTIVIRAL DRUGS' named entity 'cells' named entity 'Baicalein' named entity 'traditional' named entity 'Chinese' named entity 'catalytic' named entity 'protein crystallography' named entity 'SARS-CoV-2' named entity 'oral' named entity 'noncovalent' named entity 'acting' named entity 'Overall' named entity 'substrate' named entity 'potential' named entity 'Human infection' named entity 'patent medicine' named entity 'patent medicines' named entity 'protein crystallography' named entity 'SARS-CoV-2' named entity 'coronavirus disease 2019' named entity 'natural products' named entity '3CLpro' named entity '3CLpro' named entity 'SARS-CoV-2' named entity 'protein crystallography' named entity 'mode of action' named entity 'phillyrin' named entity 'SARS-CoV-2' named entity 'baicalein' named entity 'influenza' named entity 'SARS-CoV-2 pandemic' named entity 'baicalin' named entity 'infection' named entity 'protease' named entity 'antiviral' named entity 'Phe' named entity 'baicalein' named entity 'Bruker Daltonics' named entity 'vector' named entity 'nonstructural proteins' named entity '7.5'

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