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It targets suppressor of cytokine signaling 1 (SOCS1) to alleviate the suppression of JAK/STAT signaling [44], inhibits the transcription factor ETS1 to increase STAT3 activation, strengthens the prodifferentiation effect of cytokines such as IL-23 and IL-6 [45, 46], and suppresses the epigenetic regulator Jarid2 to directly or indirectly relieve the transcriptional repression of Th17-related genes [47]

Mende, C

To access the solution ensemble of the reversible states of compounds 7a - i and explore the proximity of the warhead to Cys13, each docked complex was submitted to molecular dynamics (MD) simulations using GROMACS 2019.4 43 and CHARMM36 force field 44