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A series of novel 1,4-dihydrothieno[3',2':5,6]thiopyrano[4,3-c]-pyrazole-3-carboxamide derivatives were synthesized and evaluated for their inhibitory activity to human 5-lipo-oxygenase (5-LOX). Compound 7c was found to exhibit significant inhibition to human 5-LOX with IC50 value of 5.7 ± 0.9 μm. Compound 7c was further studied using molecular docking in order to delineate its structure-activity relationship and to gain insight into the design of effective 5-LOX inhibitors.

Original publication

DOI

10.1111/cbdd.12356

Type

Journal article

Journal

Chem Biol Drug Des

Publication Date

12/2014

Volume

84

Pages

642 - 647

Keywords

bioassay, cross-reactivity, human 5-lipo-oxygenase inhibitors, molecular docking, synthesis, Arachidonate 5-Lipoxygenase, Binding Sites, Heterocyclic Compounds, 3-Ring, Humans, Inhibitory Concentration 50, Lipoxygenase Inhibitors, Molecular Docking Simulation, Piperazines, Protein Structure, Tertiary, Pyrazoles, Structure-Activity Relationship