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Identification of Novel Smoothened Ligands Using Structure-Based Docking

Fig 1

Identification of four novel Smoothened antagonists.

(A) First screen of 21 compounds at 30 μM using the 8xGli-Luciferase reporter in Ptch1-/- MEFs. Four compounds showed significant (>50%) inhibition of the reporter compared to DMSO, n = 3, p<0.05. cyc: cyclopamine (1 μM). (B) Dose-response analysis of initial hits using 8xGli-Luciferase reporter in Ptch1-/- MEFs. (C) Dose-response analysis of compound 44 by qPCR of Gli1 expression in Ptch1-/- MEFs. n = 3, combined experiments, error bars: standard deviation.

Fig 1

doi: https://doi.org/10.1371/journal.pone.0160365.g001