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. 2018 Mar 27;23(4):761. doi: 10.3390/molecules23040761

Table 2.

MolDock scores of the tested compounds.

Compounds Moldock Score with Enoyl Reductase from E. coli (PDB 1C14) Moldock Score with Cytochrome P450 14-α-Sterol Demethylase (Cyp51) from Candida (PDB 5TZ1)
4 −117 107
5 −147 147
6 −156 151
7 −139 140
8 −153 161
9 −142 151
10 −171 179
Reference −127 (triclosan) 133 (fluconazole)