About: RMSDs of complex GSK-3/compounds (31, a1) for 100 ns MD simulations. With compound 31 and a1 in red and black is GSK3

1j1b

In silico design novel (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine derivatives as inhibitors for glycogen synthase kinase 3 based on 3D-QSAR, molecular docking and molecular dynamics simulation 2

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Details.

Scientist
Qingxiu Hea, Chu Hana ,Guangping Lia, Haiqiong Guoa, Yuxuan Wanga, Yong Hua,Zhihua Lina,b,, Yuanqiang Wang
Protein
Glycogen Synthase Kinase 3
Ligand
5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl] amine analogue
Simulation Duration
InChIKey
N/A
SMILES
N/A
Molecular Formula
N/A
Protein Details
Glycogen synthase kinase 3 (GSK3) a protein kinase that phosphorylated and inhibited glycogen synthase [1], the enzyme that catalyzes the transfer of glucose from UDPG to glycogen
Ligand Details
Attachments