Identification of new NIK inhibitors by discriminatory analysis-based molecular docking and biological evaluation

Autor:	Gang Cheng, Xiao‐Bing Mei, You‐You Yan, Jing Chen, Bo Zhang, Jia Li, Xiao‐Wu Dong, Neng‐Ming Lin, Yu‐Bo Zhou
Rok vydání:	2018
Předmět:	Molecular Docking Simulation Structure-Activity Relationship Dose-Response Relationship Drug Molecular Structure Drug Discovery Pharmaceutical Science Humans Protein Serine-Threonine Kinases Protein Kinase Inhibitors
Zdroj:	Archiv der Pharmazie. 352(7)
ISSN:	1521-4184
Popis:	NF-κB inducing kinase (NIK) is a key regulator in the noncanonical nuclear factor κB cells (NF-κB) signaling pathway. Dysregulation of NIK is often related with autoimmune disorders and malignancies. However, the number of reported NIK inhibitors is scarce. Discriminatory analysis-based molecular docking was used to examine the accuracy of the binding conformation and to estimate the binding affinity, leading to the identification of several new NIK inhibitors with moderate IC
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a147b20b1b6a9ddbf78bd404654e83b9 https://pubmed.ncbi.nlm.nih.gov/31116887 Zobrazit plný text záznamu Plný text