Journal: Molecules

Article Title: The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

doi: 10.3390/molecules27144530

Figure Lengend Snippet: Sofosbuvir 1 (Sp isomer) and newly patented HCV prodrugs.

Article Snippet: In 2013, the FDA approved the first direct-acting antiviral drug, Sovaldi ® (sofosbuvir), remarkably treating and curing HCV infection.

Techniques:

Journal: Molecules

Article Title: The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

doi: 10.3390/molecules27144530

Figure Lengend Snippet: Sofosbuvir metabolism inside the hepatocyte. CatA = Cathepsin A; H1NT1 = histidine triad nucleotide-binding protein 1.

Article Snippet: In 2013, the FDA approved the first direct-acting antiviral drug, Sovaldi ® (sofosbuvir), remarkably treating and curing HCV infection.

Techniques: Binding Assay

Journal: Molecules

Article Title: The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

doi: 10.3390/molecules27144530

Figure Lengend Snippet: HCV GT1a and GT1b replicon activity and cytotoxicity for the prodrugs 1–13 [ 12 ]. copyright has been obtained from Elsevier BMC, License Number 5346420180398, and it will be provided.

Article Snippet: In 2013, the FDA approved the first direct-acting antiviral drug, Sovaldi ® (sofosbuvir), remarkably treating and curing HCV infection.

Techniques: Activity Assay

Journal: Molecules

Article Title: The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

doi: 10.3390/molecules27144530

Figure Lengend Snippet: ( A ) The 3D structure of compound 1 , sofosbuvir, docked into the active site of HCV-NS5B GT1a; ( B ) mapping surface showing compound 1 , sofosbuvir, occupying the active site of HCV-NS5B GT1a; ( C ) The 2D structure of compound 1 , sofosbuvir, docked into the active site of HCV-NS5B GT1a.

Article Snippet: In 2013, the FDA approved the first direct-acting antiviral drug, Sovaldi ® (sofosbuvir), remarkably treating and curing HCV infection.

Techniques:

Journal: Molecules

Article Title: The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

doi: 10.3390/molecules27144530

Figure Lengend Snippet: ( A ) The 3D structure of compound 1 , sofosbuvir, docked into the active site of HCV-NS5B GT1b; ( B ) mapping surface showing compound 1 , sofosbuvir, occupying the active site of HCV-NS5B GT1b; ( C ) The 2D structure of compound 1 , sofosbuvir, docked into the active site of HCV-NS5B GT1b.

Article Snippet: In 2013, the FDA approved the first direct-acting antiviral drug, Sovaldi ® (sofosbuvir), remarkably treating and curing HCV infection.

Techniques:

Journal: Molecules

Article Title: The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

doi: 10.3390/molecules27144530

Figure Lengend Snippet: Predicted ADMET results.

Article Snippet: In 2013, the FDA approved the first direct-acting antiviral drug, Sovaldi ® (sofosbuvir), remarkably treating and curing HCV infection.

Techniques: Solubility

Journal: Molecules

Article Title: The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

doi: 10.3390/molecules27144530

Figure Lengend Snippet: Toxicity properties of the tested compounds.

Article Snippet: In 2013, the FDA approved the first direct-acting antiviral drug, Sovaldi ® (sofosbuvir), remarkably treating and curing HCV infection.

Techniques: