Other substances

GRL0617

A naphthalene derivative.

Phase of research

Potential treatment - pre-clinical evidence

How it helps

Antiviral

Drug status

Experimental

Supporting references

Contradictory references

AI-suggested references

Clinical trials

General information

GRL0617 is an experimental SARS-CoV-2 Papain-like protease inhibitor (Osipiuk et al., 2021).

GRL0617 on DrugBank
GRL0617 on PubChem

Synonyms

5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide; GRL-0617

CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

Supporting references

Link	Tested on	Impact factor	Notes	Publication date
Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors PapainLpro Small molecule Enzyme assay In vitro	in vitro enzyme assay; Vero E6 cells; SARS-CoV-2 astrain nCoV/Washington/1/2020	12.12	Inhibits SARS-CoV-2 Papain-like protease in vitro with IC50 of ca. 2.3 μM. It inhibited the live virus in a whole cell assay with EC50 of ca. 1.4 μM.	Feb/02/2021
Establishing an Analogue Based In Silico Pipeline in the Pursuit of Novel Inhibitory Scaffolds against the SARS Coronavirus 2 Papain-Like Protease PapainLpro Small molecule In silico	in silico	3.27	The compound was predicted to bind SARS-CoV-2 Papain-like protease.	Feb/20/2021

AI-suggested references

Link	Publication date
High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors	Aug/30/2020
Identification of bio-active food compounds as potential SARS-CoV-2 PLpro inhibitors-modulators via negative image-based screening and computational simulations	May/30/2020
Novel mutations in NSP-1 and PLPro of SARS-CoV-2 NIB-1 genome mount for effective therapeutics	Apr/02/2021
Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and in vitro activity inhibition.	Dec/18/2021
Identifying structural-functional analogue of GRL0617, the only well-established inhibitor for papain-like protease (PLpro) of SARS-CoV2 from the pool of fungal metabolites using docking and molecular dynamics simulation.	Apr/06/2021
Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulation	May/19/2021
Inhibitors of SARS-CoV-2 PLpro.	Apr/26/2022
Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.	Jun/18/2021
A multi-targeted approach to identify potential flavonoids against three targets in the SARS-CoV-2 life cycle	Jul/05/2020
Crystal structure of SARS-CoV-2 papain-like protease.	Sep/02/2020
Design and Evaluation of a Novel Peptide-Drug Conjugate Covalently Targeting SARS-CoV-2 Papain-like Protease	Jan/04/2022
Perceiving SARS-CoV-2 Mpro and PLpro dual inhibitors from pool of recognized antiviral compounds of endophytic microbes: an in silico simulation study.	Apr/08/2022
Analyzing the effect of mutations in SARS-CoV2 papain-like protease from Saudi isolates on protein structure and drug-protein binding: Molecular modelling and dynamics studies	Sep/17/2021
Structure-Based Screening to Discover New Inhibitors for Papain-like Proteinase of SARS-CoV-2: An In Silico Study	Mar/27/2021
In Silico Elucidation of Potent Inhibitors and Rational Drug Design against SARS-CoV-2 Papain-like Protease	Jan/11/2021
Drug Repurposing for the SARS-CoV-2 Papain-Like Protease	Oct/12/2021
Discovery of Novel and Highly Potent Inhibitors of SARS CoV-2 Papain-Like Protease Through Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, Molecular Dynamics Simulations, and Biological Evaluation	Jun/07/2020
Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity	Oct/30/2021
Meticulous assessment of natural compounds from NPASS database for identifying analogue of GRL0617, the only known inhibitor for SARS-CoV2 papain-like protease (PLpro) using rigorous computational workflow	Mar/04/2022
The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery	Sep/22/2021
Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation	Sep/30/2021

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