Drug combination for HCV treatment #387 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Sofosbuvir
NS3_HCV1A

Docking Scores:
-6.45 -6.01 -8.24
Similarity Score:
80.72%
Best Match:
CHEMBL3696815

L: Brequinar
NS3_HCV1B

Docking Scores:
-9.75 -9.01 -7.42
Similarity Score:
25.30%
Best Match:
CHEMBL1170417

L: Niclosamide
NS3_HCV1B

Docking Scores:
-7.58 -7.87 -6.29
Similarity Score:
21.39%
Best Match:
CHEMBL3954962

L: Sofosbuvir
NS3_HCV1B

Docking Scores:
-9.09 -8.43 -5.98
Similarity Score:
21.16%
Best Match:
CHEMBL3125634

L: Brequinar
NS3_HCV3A

Docking Scores:
-7.76 -7.72 -7.69
Similarity Score:
N/A
Best Match:
N/A

L: Niclosamide
NS3_HCV3A

Docking Scores:
-6.20 -6.20 -7.22
Similarity Score:
N/A
Best Match:
N/A

L: Sofosbuvir
NS3_HCV3A

Docking Scores:
-6.61 -7.23 -7.40
Similarity Score:
N/A
Best Match:
N/A

L: Brequinar
NS3_ZIKV

Docking Scores:
-9.37
Similarity Score:
N/A
Best Match:
N/A

L: Niclosamide
NS3_ZIKV

Docking Scores:
-7.54
Similarity Score:
N/A
Best Match:
N/A

L: Sofosbuvir
NS3_ZIKV

Docking Scores:
-9.06
Similarity Score:
N/A
Best Match:
N/A

L: Brequinar
NS5B_HCV1A

Docking Scores:
-8.94 -9.83 -9.63
Similarity Score:
30.70%
Best Match:
CHEMBL353549

L: Niclosamide
NS5B_HCV1A

Docking Scores:
-7.70 -8.53 -7.88
Similarity Score:
27.52%
Best Match:
CHEMBL176058

L: Sofosbuvir
NS5B_HCV1A

Docking Scores:
-8.51 -8.82 -8.94
Similarity Score:
23.01%
Best Match:
CHEMBL3644940

L: Brequinar
NS5B_HCV1B

Docking Scores:
-9.48 -9.03 -8.36
Similarity Score:
32.02%
Best Match:
CHEMBL213832

L: Niclosamide
NS5B_HCV1B

Docking Scores:
-7.43 -7.95 -7.68
Similarity Score:
31.03%
Best Match:
CHEMBL3645194

L: Sofosbuvir
NS5B_HCV1B

Docking Scores:
-7.84 -8.35 -7.78
Similarity Score:
28.75%
Best Match:
CHEMBL4111989

L: Brequinar
NS5B_HCV2A

Docking Scores:
-10.67 -10.38
Similarity Score:
19.57%
Best Match:
CHEMBL3127326

L: Niclosamide
NS5B_HCV2A

Docking Scores:
-8.30 -8.66
Similarity Score:
34.84%
Best Match:
CHEMBL3127326

L: Sofosbuvir
NS5B_HCV2A

Docking Scores:
-9.27 -9.02
Similarity Score:
16.89%
Best Match:
CHEMBL4203791

L: Brequinar
NS5_9FLAV

Docking Scores:
-9.47
Similarity Score:
N/A
Best Match:
N/A