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Emodin can suppress cell growth through inducing cell cycle arrest at G0/G1, S and G2/M stages, such as G0/G1 arrest in NSCLC cells via hyaluronan synthase 2 (HAS2)-mediated signaling [461], and S and G2/M phases arrest in liver cancer (Hep G2) cells [456]
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QM/MM calculations Enzymesubstrate complexes were generated through molecular docking using the GOLD software 76 (ChemScore fitness function) on the crystal structure of PtGSTF8 preserving crystallographic Na + ions and flav-3-on-4-ol coordinates optimized at the B3LYP/6-31 G(d) quantum mechanical level (see below for details)
M.JaggerC
doi: 10.1073/pnas.1906722116 29 MeskauskieneR.NaterM.GoslingsD.KesslerF.op den CampR.ApelK
H.CasaburiR.GallagherC
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