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Table 1 The structures and docking outcomes of the predefined template (molecule 1), new molecules (1a1c), and Sofosbuvir as reference inhibitors (R)
figure a

From: In silico design and pharmacokinetics investigation of some novel hepatitis C virus NS5B inhibitors: pharmacoinformatics approach

S/N R Binding score (kcal/mol) Hbond (kcal/mol) Hphob (kcal/mol)
1 (T)    − 37.46  − 14.56  − 2.329
1a  − 39.98  − 15.76  − 1.730
1b  − 39.90  − 15.59  − 1.864
1c  − 41.71  − 16.52  − 2.306
R    − 30.34  − 10.54  − 2.954
  1. HbondHydrogen bond energy, Hphobhydrophobic energy in exposing a surface to water