File S1 - High-Throughput Screening (HTS) and Hit Validation to Identify Small Molecule Inhibitors with Activity against NS3/4A proteases from Multiple Hepatitis C Virus Genotypes

Figure S1, Comparison of HCV NS3 protease and human serine proteases. (A) Sequence aligned scores of 14 human serine proteases with HCV NS3 protease by ClustalW2. (B) 3D alignment of the active site of HCV NS3 protease colored in plum and a P2–P4 macrocyclic inhibitor colored in yellow superimposed with trypsin colored in green and chymotrypsin colored in blue. (C) 3D alignment of the active site of HCV NS3 protease colored in yellow and 14 human serine proteases. Images were prepared using Chimera v1.6.1, UCSF, 2012 [37]. Figure S2, Multiple sequence alignment of HCV NS3 and 14 human serine proteases by ClustalW2. Table S1, MRM transitions, MS parameters and eluent composition during the LC/MS/MS analysis. Table S2, List of the known reactive functionalities and/or known toxicities that were used to filter out compounds to build our Life Chemicals library. (DOC)