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. 2015 Mar 24;13:204–211. doi: 10.1016/j.csbj.2015.03.001

Table 2.

Overview of SENP inhibitors identified using virtual screening.

SENP target Structure of representative compounds Activity of most potent compounds Virtual screening method used Reference
SENP1 graphic file with name t1.gif Compound 9
IC50 = 2.38 μM
Compound 10
IC50 = 1.08 μM
Molecular docking of 180,000 compound library using Glide program. Chen et al. [70]
SENP1, SENP2, SENP7 graphic file with name t2.gif Compound 11
SENP1 IC50 = 5.9 μM
SENP2 IC50 = 2.9 μM
SENP7 IC50 = 3.5 μM
Compound 12
SENP1 IC50 = 2.1 μM
SENP2 IC50 = 2.0 μM
SENP2 IC50 = 2.7 μM
Molecular docking of 250,000 compound library using Glide program. Madu et al. [71]
SENP1, SENP2 graphic file with name t3.gif Compound 13
SENP1 IC50 = 9.7 μM
SENP2 IC50 = 5.9 μM
Compound 14
SENP1 IC50 = > 30 μM
SENP2 IC50 = 3.7 μM
Hierarchical virtual screening of ~ 4 million compound library by shape and electrostatic similarity search using ROCS and EON program. Molecular docking using Glide program prioritized hits for bioassay. Kumar et al. [72]
SENP1 graphic file with name t4.gif Compound 15
IC50 = 1.29 μM
Molecular docking of 100,000 compound library using Dock and Autodock program. Wen et al. [73]