1231217-52-9Relevant articles and documents
Design and Synthesis of Labystegines, Hybrid Iminosugars from LAB and Calystegine, as Inhibitors of Intestinal α-Glucosidases: Binding Conformation and Interaction for ntSI
Kato, Atsushi,Zhang, Zhao-Lan,Wang, Hong-Yao,Jia, Yue-Mei,Yu, Chu-Yi,Kinami, Kyoko,Hirokami, Yuki,Tsuji, Yutaro,Adachi, Isao,Nash, Robert J.,Fleet, George W. J.,Koseki, Jun,Nakagome, Izumi,Hirono, Shuichi
, p. 4501 - 4515 (2015)
This paper identifies the required configuration and orientation of α-glucosidase inhibitors, miglitol, α-1-C-butyl-DNJ, and α-1-C-butyl-LAB for binding to ntSI (isomaltase). Molecular dynamics (MD) calculations suggested that the flexibility around the k