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

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 sca...

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Veröffentlicht in:	European journal of medicinal chemistry 2011-04, Vol.46 (4), p.1245-1253
Hauptverfasser:	Avila, Carolina M., Lopes, Alexandra B., Gonçalves, 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.
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acid Sequence Animals anti-Inflammatory Anti-Inflammatory Agents - chemical synthesis Anti-Inflammatory Agents - chemistry Anti-Inflammatory Agents - pharmacology Anti-Inflammatory Agents - therapeutic use Benzylidene Compounds - chemical synthesis Benzylidene Compounds - chemistry Benzylidene Compounds - pharmacology Benzylidene Compounds - therapeutic use Catalytic Domain Cell Line Drug Design Edema - chemically induced Edema - drug therapy Female Humans Hydrazones - chemical synthesis Hydrazones - chemistry Hydrazones - pharmacology Hydrazones - therapeutic use I-kappa B Kinase - antagonists & inhibitors I-kappa B Kinase - chemistry IKK-β inhibitor Ligands Male Mice Molecular docking Molecular Dynamics Simulation Molecular Sequence Data Molecular Weight N-Acylhydrazone Privileged structure Protein Kinase Inhibitors - chemical synthesis Protein Kinase Inhibitors - chemistry Protein Kinase Inhibitors - pharmacology Protein Kinase Inhibitors - therapeutic use Structure-based design
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