Zhenshan Zhang

TL;DR: The dipeptide H‐Trp‐Glu‐OH (G3335) was discovered to be a novel PPARγ antagonist and the results suggested that residues Cys285, Arg288, Ser289, and His449 in PParγ play vital roles inPPARγ‐LBD–G33 35 binding.

TL;DR: The surface plasmon resonance biosensor results showed that the equilibrium dissociation constant (KD) values evaluated by Biacore 3000 for the inhibitors showed a good correlation with its reported IC50, suggesting that SPR technology might be applicable as a direct assay method in screening new 5-LOX inhibitors at an early stage.

TL;DR: Both the docking simulations and QSAR analyses suggest that new potent dual inhibitors should share a structural feature with a moderately bulky group at R2 position and a rather negatively charged group around the position of the carbonyl group of DHDMBFs.

TL;DR: The CoMFA model indicated that bulky negative-charged group at position 9, 10 and 11 of CPT would increase activity, but excessively increasing bulky group at Position 10 is adverse to inhibitory activity; substituents that occupy position 7 with the bulky positive group will enhance the inhibitive activity.

TL;DR: In this paper, a series of indole-2-carboxamide compounds with human liver glycogen phosphorylase a (HLGPa) have been studied employing molecular docking and 3D-QSAR approaches.