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Data on the mode of binding between avenanthramides and IKK? domains in a docking model.


ABSTRACT: The data presented in this article are related to the research paper entitled "Anti-inflammatory effect of avenanthramides via NF-?B pathways in C2C12 skeletal muscle cells." (Kang et al., in press) [1] This article includes experimental procedures used to analyze the mode of binding between and IkB kinase (IKK?) and avenanthramides which are a group of phenolic alkaloids found in oats. The protein-ligand docking and the computer simulation method of molecular dynamics (MD) for studying the physical interactions of molecules were performed.

SUBMITTER: Kang C 

PROVIDER: S-EPMC5988504 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

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Data on the mode of binding between avenanthramides and IKKβ domains in a docking model.

Kang Chounghun C   Shin Woo Shik WS   Yeo Dongwook D   Lim Wonchung W   Ji Li Li LL  

Data in brief 20180206


The data presented in this article are related to the research paper entitled "Anti-inflammatory effect of avenanthramides via NF-κB pathways in C2C12 skeletal muscle cells." (Kang et al., in press) [1] This article includes experimental procedures used to analyze the mode of binding between and IkB kinase (IKKβ) and avenanthramides which are a group of phenolic alkaloids found in oats. The protein-ligand docking and the computer simulation method of molecular dynamics (MD) for studying the phys  ...[more]

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