Other substances

Simeprevir

A hepatitis C virus NS3A/4 protease complex inhibitor.

Phase of research

Potential treatment - pre-clinical evidence

How it helps

Antiviral

Drug status

Used to treat other disease

Supporting references

Contradictory references

AI-suggested references

Clinical trials

General information

Simeprevid is used for hepatitis C virus infection treatment as it inhibits the viral NS3/NS4A protease complex essential for cleavage of the viral polyprotein (NCIt).

Simeprevir on DrugBank
Simeprevir on PubChem
Simeprevir on Wikipedia

Marketed as

OLYSIO (SIMEPREVIR SODIUM)

CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC

Supporting references

Link	Tested on	Impact factor	Notes	Publication date
Predicting commercially available antiviral drugs that may act on the novel coronavirus (2019-nCoV), Wuhan, China through a drug-target interaction deep learning model Preprint In silico	in silico			Feb/02/2020
Oral drug repositioning candidates and synergistic remdesivir combinations for the prophylaxis and treatment of COVID-19 Preprint In vitro Screening	HeLa-ACE2 cells			Jun/16/2020
Anti-HCV and anti-malaria agent, potential candidates to repurpose for coronavirus infection: Virtual screening, molecular docking, and molecular dynamics simulation study 3CLpro Small molecule In silico	in silico	3.65	Predicted to dock in the binding pocket of the SARS-CoV-2 3C-like protease.	Aug/08/2020
An integrated drug repurposing strategy for the rapid identification of potential SARS-CoV-2 viral inhibitors Spike protein Small molecule In silico	in silico	4.00	Predicted to inhibit the SARS-CoV-2 spike protein via RBD binding.	Aug/17/2020
Simeprevir suppresses SARS-CoV-2 replication and synergizes with remdesivir Preprint	VERO E6 cell cultures		better in combination with remdesivir	May/26/2020
In silico structure modelling of SARS-CoV-2 Nsp13 helicase and Nsp14 and repurposing of FDA approved antiviral drugs as dual inhibitors nsp13 nsp14 Small molecule In silico	in silico	0.61	Predicted to inhibit both the SARS-CoV-2 Nsp13 helicase and Nsp14 exoribonuclease.	Aug/28/2020
Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with Mpro 3CLpro Small molecule In silico	in silico	3.22	Predicted to inhibit the SARS-CoV-2 3C-like protease.	Sep/02/2020
Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study nsp15 Small molecule In silico	in silico	3.22	Predicted to inhibit the SARS-CoV-2 nsp15 (endoribonuclease) protein.	Sep/04/2020
The potential of Paritaprevir and Emetine as inhibitors of SARS-CoV-2 RdRp RdRpol Small molecule In silico	in silico	2.80	Predicted to inhibit the SARS-CoV-2 RNA-dependent RNA polymerase.	Dec/02/2020

AI-suggested references

Link	Publication date
Effects of simeprevir on the replication of SARS-CoV-2 in vitro and in transgenic hACE2 mice.	Mar/25/2022
Network analysis, sequence and structure dynamics of key proteins of coronavirus and human host, and molecular docking of selected phytochemicals of nine medicinal plants.	Jul/20/2020
Antiviral drug design based on the opening mechanism of spike glycoprotein in SARS-CoV-2.	May/15/2021
SARS-CoV-2 and SARS-CoV: Virtual screening of potential inhibitors targeting RNA-dependent RNA polymerase activity (NSP12)	Jul/09/2020
Targeting SARS-CoV-2 M3CLpro by HCV NS3/4a Inhibitors: In Silico Modeling and In Vitro Screening	Feb/04/2021
Re-Purposing of Hepatitis C Virus FDA Approved Direct Acting Antivirals as Potential SARS-CoV-2 Protease Inhibitors.	Nov/19/2021
Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2	May/20/2020
Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning.	Mar/30/2021
Author`s Reply.	Feb/12/2022
Simeprevir Potently Suppresses SARS-CoV-2 Replication and Synergizes with Remdesivir.	Apr/15/2021
Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro	Jun/24/2020
Drug repurposing using computational methods to identify therapeutic options for COVID-19	May/30/2020
Drug repurposing for identification of potential inhibitors against SARS-CoV-2 spike receptor-binding domain: An in silico approach	Sep/22/2021
Destabilizing the structural integrity of COVID-19 by caulerpin and its derivatives along with some antiviral drugs: An in silico approaches for a combination therapy.	Jul/23/2020
Virtual screening, molecular dynamics and structure-activity relationship studies to identify potent approved drugs for Covid-19 treatment	Jul/21/2020
Combination and tricombination therapy to destabilize the structural integrity of COVID-19 by some bioactive compounds with antiviral drugs: insights from molecular docking study.	Jan/08/2021
Antivirals virtual screening to SARS-CoV-2 non-structural proteins	May/05/2021
Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study	Oct/11/2021
Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture.	Apr/27/2021
Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and pharmacokinetics approaches	Jul/05/2020

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