Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMPC29W)

Drug Name

PMID27240464-compound-3f Drug Info

Synonyms

PMID27240464-C-3f

Indication

Disease Entry	ICD 11	Status	REF
Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[1]
Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[1]

Therapeutic Class

Antiviral Agents

Cross-matching ID

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

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Drug(s) Targeting MERS-CoV 3C-like proteinase (3CLpro)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lopinavir	DMITQS0	Human immunodeficiency virus infection	1C62	Approved	[2]
PMID26868298-compound-N3	DMQFUCD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[2]
GC376	DMR1CLY	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[3]
PMID28216367-compound-6d	DMPWUFT	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[4]
GRL-001	DMVB1PD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[2]
GC813	DM7PBJC	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[5]
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Drug(s) Targeting SARS-CoV 3C-like protease (3CLpro)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lopinavir	DMITQS0	Human immunodeficiency virus infection	1C62	Approved	[2]
PMID26868298-compound-N3	DMQFUCD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[2]
GC376	DMR1CLY	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[3]
PMID28216367-compound-6d	DMPWUFT	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[4]
GRL-001	DMVB1PD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[2]
Phenylisoserine derivatives SK80	DM16W8F	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[6]
PMID30784880-compound-6-5	DMVB0P3	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[7]
PMID28624700-compound-3-31	DMYNCWK	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[8]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MERS-CoV 3C-like proteinase (3CLpro)	TTWOH4Q	R1AB_CVEMC (3248-3553)	Inhibitor	[1]
SARS-CoV 3C-like protease (3CLpro)	TTPZG3C	R1AB_CVHSA (3241-3546)	Inhibitor	[1]

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References

1	Identification, synthesis and evaluation of SARS-CoV and MERS-CoV 3C-like protease inhibitors. Bioorg Med Chem. 2016 Jul 1;24(13):3035-3042.
2	Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47.
3	Reversal of the Progression of Fatal Coronavirus Infection in Cats by a Broad-Spectrum Coronavirus Protease Inhibitor. PLoS Pathog. 2016 Mar 30;12(3):e1005531.
4	Identification and evaluation of potent Middle East respiratory syndrome coronavirus (MERS-CoV) 3CLPro inhibitors. Antiviral Res. 2017 May;141:101-106.
5	Structure-guided Design of Potent and Permeable Inhibitors of MERS Coronavirus 3CL Protease That Utilize a Piperidine Moiety as a Novel Design Element Eur J Med Chem. 2018 Apr 25;150:334-346.
6	Synthesis and Evaluation of Phenylisoserine Derivatives for the SARS-CoV 3CL Protease Inhibitor. Bioorg Med Chem Lett. 2017 Jun 15;27(12):2746-2751.
7	Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives. Eur J Med Chem. 2019 Apr 1;167:472-484.
8	Discovery of Unsymmetrical Aromatic Disulfides as Novel Inhibitors of SARS-CoV Main Protease: Chemical Synthesis, Biological Evaluation, Molecular Docking and 3D-QSAR Study Eur J Med Chem. 2017 Sep 8;137:450-461.