CORona Drug InTEractions database

Repurposing existing drugs: identification of SARS-CoV-2 3C-like protease inhibitors

Wei-Chung Chiou, Meng-Shiuan Hsu, Yun-Ti Chen, Jinn-Moon Yang, Yeou-Guang Tsay, Hsiu-Chen Huang, Cheng Huang

Abstract

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is responsible for coronavirus disease 2019 (COVID-19). Since its emergence, the COVID-19 pandemic has not only distressed medical services but also caused economic upheavals, marking urgent the need for effective therapeutics. The experience of combating SARS-CoV and MERS-CoV has shown that inhibiting the 3-chymotrypsin-like protease (3CLpro) blocks the replication of the virus. Given the well-studied properties of FDA-approved drugs, identification of SARS-CoV-2 3CLpro inhibitors in an FDA-approved drug library would be of great therapeutic value. Here, we screened a library consisting of 774 FDA-approved drugs for potent SARS-CoV-2 3CLpro inhibitors, using an intramolecularly quenched fluorescence (IQF) peptide substrate. Ethacrynic acid, naproxen, allopurinol, butenafine hydrochloride, raloxifene hydrochloride, tranylcypromine hydrochloride, and saquinavir mesylate have been found to block the proteolytic activity of SARS-CoV-2 3CLpro. The inhibitory activity of these repurposing drugs against SARS-CoV-2 3CLpro highlights their therapeutic potential for treating COVID-19 and other Betacoronavirus infections.

Source: PubMed

Related molecules

Name	Synonyms	Genes
Naproxen
Allopurinol
Butenafine hydrochloride
Raloxifene hydrochloride
Tranylcypromine hydrochloride
Saquinavir mesylate
Ethacrynic acid
3C-like protease	3CLpro, Mpro, SARS coronavirus main peptidase, 3CLpro-SARS-CoV-2	rep, ORF1a-1b

Related interactions

Target	Drug	Type	Result
3C-like protease	Naproxen
3C-like protease	Allopurinol
3C-like protease	Butenafine hydrochloride
3C-like protease	Raloxifene hydrochloride
3C-like protease	Tranylcypromine hydrochloride
3C-like protease	Saquinavir mesylate
3C-like protease	Ethacrynic acid

Target	Target affiliation	Drug	Type	Result
Target	Target affiliation	Drug	Type	Result

Name	Synonyms	Genes	Origin
Name	Synonyms	Genes	Origin

Name	Synonyms	PubChem	DrugBank	RCSB PDB	ATC
Name	Synonyms	PubChem	DrugBank	RCSB PDB	ATC

Title	Authors	DOI	Source	Article type	Date
Title	Authors	DOI	Source	Article type	Date

Title	Status	Phases	Start Date	Prim. Comp. Date	Comp. Date	First Post. Date
Title	Status	Phases	Start Date	Prim. Comp. Date	Comp. Date	First Post. Date

CORDITE (CORona Drug InTEractions database) collects and aggregates data from PubMed, MedRxiv, BioRxiv, ChemRxiv and PMC for SARS-CoV-2. Its main focus is set on drug interactions either addressing viral proteins or human proteins that could be used to treat COVID. It collects and provides up-to-date information on computational predictions, in vitro, as well as in vivo study data.

The information provided is for research only and we cannot guarantee the correctness of the data.

Please contact dominik.heider@uni-muenster.de for further information.

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Drugs

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Publications

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Clinical trials

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