Simeprevir

Synonyms: Olysio, TMC435350, TMC-435, TMC435

Tags: drug ns3/4a protease approved

Description:

Pubchem: Simeprevir is an orally bioavailable inhibitor of the hepatitis C virus (HCV) protease complex comprised of non-structural protein 3 and 4A (NS3/NS4A), with activity against HCV genotype 1. Upon administration, simeprevir reversibly binds to the active center and binding site of the HCV NS3/NS4A protease and prevents NS3/NS4A protease-mediated polyprotein maturation. This disrupts both the processing of viral proteins and the formation of the viral replication complex, which inhibits viral replication in HCV genotype 1-infected host cells. NS3, a serine protease, is essential for the proteolytic cleavage of multiple sites within the HCV polyprotein and plays a key role during HCV ribonucleic acid (RNA) replication. NS4A is an activating factor for NS3. HCV is a small, enveloped, single-stranded RNA virus belonging to the Flaviviridae family; HCV infection is associated with the development of hepatocellular carcinoma (HCC).

PubChem: 24873435 24873435

ATC: J05AP05 J05AP05

Related interactions

Target	Drug	Type	Result
3C-like protease	Simeprevir	Computational	positive
Helicase	Simeprevir	Computational	positive
Exoribonuclease	Simeprevir	Computational	positive
RNA dependent RNA polymerase	Simeprevir	Computational	positive
Uridylate-specific endoribonuclease	Simeprevir	Computational	positive
Angiotensin-converting enzyme 2-Spike glycoprotein interface	Simeprevir	Computational	positive
Angiotensin-converting enzyme 2	Simeprevir	Computational	positive
Spike glycoprotein	Simeprevir	Computational	positive

Related publications

Title	Author	Type
Predicting commercially available antiviral drugs that may act on the novel coronavirus (2019-nCoV), Wuhan, China through a drug-target interaction de	Bo Ram Beck, Bonggun Shin, Yoonjung Choi, Sungsoo Park, Keunsoo Kang	Research
Comparative Computational Study of SARS-CoV-2 Receptors Antagonists from Already Approved Drugs	Micael Davi, Lima de Oliveira, Kelson Mota, Teixeira de Oliveira	Research
Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs	Calligari P, Bobone S, Ricci G, Bocedi A	Research
Computational Molecular Docking and Virtual Screening Revealed Promising SARS-CoV-2 Drugs	Maryam Hosseini, Wanqiu Chen Charles Wang	Research
Drug Repurposing Approach Targeted Against Main Protease of SARS-CoV-2 Exploiting ‘Neighbourhood Behaviour’ in 3D Protein Structural Space and 2D Chemical Space of Small Molecules	Sohini Chakraborti Narayanaswamy Srinivasan	Research
Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study	Rameez Jabeer Khan, Rajat Kumar Jha, Ekampreet Singh, Monika Jain, Gizachew Muluneh Amera, Rashmi Prabha Singh, Jayaraman Muthukumaran, Amit Kumar Singh	Research
Drug Repurposing for Covid-19: Discovery of Potential Small-Molecule Inhibitors of Spike Protein-ACE2 Receptor Interaction Through Virtual Screening and Consensus Scoring	Sachin Patil, Jeremy Hofer, Pedro J. Ballester, Elena Fattakhova, Juliette DiFlumeri, Autumn Campbell, Michael Oravic	Research
Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2	Sinthyia Ahmed, Rumana Mahtarin, Sayeda Samina Ahmed, Shaila Akter, Md. Shamiul Islam, Abdulla Al Mamun, Rajib Islam, Md Nayeem Hossain, Md Ackas Ali , Mossammad U. C. Sultana, MD. Rimon Parves, M. Obayed Ullah, Mohammad A. Halim	Research
Oral drug repositioning candidates and synergistic remdesivir combinations for the prophylaxis and treatment of COVID-19	Malina A. Bakowski, Nathan Beutler, Emily Chen, Tu-Trinh H. Nguyen, Melanie G. Kirkpatrick, Mara Parren, Linlin Yang, James Ricketts, Anil K. Gupta, Mitchell V. Hull, Peter G. Schultz, Dennis R. Burton, Arnab K. Chatterjee, Case W. McNamara, Thomas F. Rogers	Research
Drug repurposing for identification of potential inhibitors against SARS-CoV-2 spike receptor-binding domain: An in silico approach	Santosh Kumar Behera, Namita Mahapatra, Chandra Sekhar Tripathy, Sanghamitra Pati	Research