About: Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors

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About: Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors Goto Sponge NotDistinct Permalink

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

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type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors
Creator	Liu, Wei Chen, Jie Chen, Wei-Qiang Niu, Guo-Jun Shi, En-Zhi Sun, Bo Yang, Cheng Zhou, Hong-Gang Zhu, He-Min
source	Elsevier; Medline; PMC
abstract	The Severe Acute Respiratory Syndrome (SARS) is a serious life-threatening and strikingly mortal respiratory illness caused by SARS-CoV. SARS-CoV which contains a chymotrypsin-like main protease analogous to that of the main picornavirus protease, 3CL(pro). 3CL(pro) plays a pivotal role in the viral replication cycle and is a potential target for SARS inhibitor development. A series of isatin derivatives as possible SARS-CoV 3CL(pro) inhibitors was designed, synthesized, and evaluated by in vitro protease assay using fluorogenic substrate peptide, in which several showed potent inhibition against the 3CL(pro). Structure–activity relationship was analyzed, and possible binding interaction modes were proposed by molecular docking studies. Among all compounds, 8k(1) showed most potent inhibitory activity against 3CL(pro) (IC(50) = 1.04 μM). These results indicated that these inhibitors could be potentially developed into anti-SARS drugs.
has issue date	2014-01-01(xsd:dateTime)
bibo:doi	10.1016/j.bmc.2013.11.028
bibo:pmid	24316352
has license	no-cc
sha1sum (hex)	7fbcb872f0cbabf15f75d861c899ed7444a54ff6
schema:url	https://doi.org/10.1016/j.bmc.2013.11.028
resource representing a document's title	Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors
has PubMed Central identifier	PMC7111328
has PubMed identifier	24316352
schema:publication	Bioorg Med Chem
resource representing a document's body	covid:7fbcb872f0cbabf15f75d861c899ed7444a54ff6#body_text
is schema:about of	named entity '1.04' named entity 'INHIBITION' named entity 'SEVERE ACUTE RESPIRATORY SYNDROME' named entity 'RESULTS' named entity 'THESE' named entity 'LIKE' named entity 'SUBSTRATE' named entity 'TARGET' named entity 'developed' named entity 'target' named entity 'assay' named entity 'sulfonyl' named entity 'Synthesis' named entity 'derivatives' named entity 'SULFONYL' named entity 'RESPIRATORY ILLNESS' named entity 'CAUSED BY' named entity 'SYNTHESIS' named entity 'ISATIN DERIVATIVES' named entity 'PLAYS' named entity 'POSSIBLE' named entity 'INHIBITOR' named entity 'USING' named entity 'MAIN' named entity 'PICORNAVIRUS' named entity 'INDICATED' named entity 'SYNTHESIZED' named entity 'DRUGS' named entity 'MORTAL' named entity 'IS A' named entity 'BINDING' named entity 'SARS-COV' named entity 'CHYMOTRYPSIN' named entity 'VIRAL REPLICATION CYCLE' named entity 'MOLECULAR DOCKING' named entity 'STUDIES' named entity '3C-LIKE PROTEASE INHIBITORS' named entity 'SARS-COV' named entity 'PROPOSED' named entity 'LIFE' named entity 'DEVELOPMENT' named entity 'RELATIONSHIP' named entity 'IN VITRO' named entity 'ISATIN DERIVATIVES' named entity 'PROTEASE ASSAY' named entity 'MODIFICATION' named entity 'DOCKING' named entity 'ROLE' named entity 'ANALYZED' named entity 'PEPTIDE' named entity 'INTERACTION' named entity 'STUDIES' named entity 'INHIBITORY ACTIVITY' named entity 'POTENTIAL' named entity 'EVALUATED' named entity 'SARS' named entity 'CONTAINS' named entity 'PRO' named entity 'PROTEASE' named entity 'SERIES' covid:arg/7fbcb872f0cbabf15f75d861c899ed7444a54ff6 named entity 'Severe Acute Respiratory Syndrome (SARS)' named entity 'peptide' named entity 'potent' named entity 'viral replication' named entity 'evaluated' named entity 'Severe Acute Respiratory Syndrome' named entity 'inhibitory activity' named entity 'SARS' named entity 'protease' named entity 'SARS-CoV' named entity 'SARS-CoV' named entity '3C-like protease'

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