Structure-based design and biological profile of (E)-N-(4-Nitrobenzylidene)-2-naphthohydrazide, a novel small molecule inhibitor of IκB kinase-β

…, NC Romeiro, ALP Miranda, CMR Sant'Anna…

Index: Avila, Carolina M.; Lopes, Alexandra B.; Gonalves, Arlan S.; Da Silva, Leandro L.; Romeiro, Nelilma C.; Miranda, Ana Luisa P.; Sant'Anna, Carlos M.R.; Barreiro, Eliezer J.; Fraga, Carlos A.M. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 4 p. 1245 - 1253

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Citation Number: 15

Abstract

In this study, we describe the rational design, molecular modeling and pharmacological profile of a novel IKK-β inhibitor (E)-N-(4-nitrobenzylidene)-2-naphthohydrazide (LASSBio- 1524). The design based on the IKK-β active site, and a privileged structure template yielded a novel IKK-β inhibitor scaffold with significant selectivity over IKK-α and CHK2, as assessed by an in vitro kinase assay. For a better understanding of the structural requirements of ...