Tracking the relevant researches of CADD drug development against COVID-19


56640146  493.624
RB NOA Rings logP


DrugBank ID:



Dasabuvir is a direct acting antiviral medication used as part of combination therapy to treat chronic Hepatitis C, an infectious liver disease caused by infection with Hepatitis C Virus (HCV). HCV is a single-stranded RNA virus that is categorized into nine distinct genotypes, with genotype 1 being the most common in the United States, and affecting 72% of all chronic HCV patients. Treatment options for chronic Hepatitis C have advanced significantly since 2011, with the development of Direct Acting Antivirals (DAAs) such as Dasabuvir. Dasabuvir is a non-nucleoside NS5B inhibitor which binds to the palm domain of NS5B and induces a conformational change which renders the polymerase unable to elongate viral RNA. The binding sites for non-nucleoside NS5B inhibitors are poorly conserved across HCV genotypes leading to the restriction of Dasabuvir's use to genotype 1 only.In a joint recommendation published in 2016, the American Association for the Study of Liver Diseases (AASLD) and the Infectious Diseases Society of America (IDSA) recommend Dasabuvir as first line therapy in combination withOmbitasvir,Paritaprevir, andRitonavirfor genotype 1b and withRibavirinfor genotype 1a of Hepatitis C. Dasabuvir,Ombitasvir,Paritaprevir,Ritonavir, andRibavirinare used with the intent to cure, or achieve a sustained virologic response (SVR), after 12 weeks of therapy. SVR and eradication of HCV infection is associated with significant long-term health benefits including reduced liver-related damage, improved quality of life, reduced incidence of Hepatocellular Carcinoma, and reduced all-cause mortality.Dasabuvir is available as a fixed dose combination product withOmbitasvir,Paritaprevir, andRitonavir(tradename Viekira Pak) used for the treatment of chronic Hepatitis C. Approved in December 2014 by the FDA, Viekira Pak is indicated for the treatment of HCV genotype 1a withRibavirinor genotype 1b withoutRibavirin. When combined together, DasabuvirOmbitasvir,Paritaprevir, andRitonaviras the combination product Viekira Pak have been shown to achieve a SVR of 100% for genotype 1b and 89% or 95% for genotype 1a after 12 weeks or 24 weeks of treatment includingRibavirin. [DrugBank]


Nonstructural protein 5B (NS5B) () [DrugBank]


Dasabuvir is classified as a direct-acting antiviral (DAA) and prevents viral replication in HCV genotype 1 Label. [DrugBank]




2D structures:  

3D structures:  

Docking in target protein

Receptor: Mpro

Docking Site: Catalytic pocket

Ligand: Dasabuvir

Vina score: -7.8

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for Dasabuvir: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Dasabuvir in the SMILES input box.

Step 2 - Blind docking for Dasabuvir: CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Dasabuvir to perform blind docking.