Synthesis and molecular docking study of (E)-4-(6,7-dimethoxyquinazolin-4-ylamino)phenyl-3-(4-chlorophenyl)acrylate as a JAK3 inhibitor

doi:10.5246/jcps.2011.02.014

Abstract

Abstract:

A 4-anilinoquinazoline derivative (1) designed as a JAK3 inhibitor was synthesized in high yield by a practical and efficient method. The molecular docking study was also performed to elucidate the molecular mechanism of the JAK3 inhibitory potency of compound 1. The results indicated that compound 1 had various interactions with the key amino acid residues at the ATP-binding cavity of JAK3 protein and presented high affinity to JAK3 protein, which was even higher than JANEX-1 and Tasocitinib.

Key words: 4-Anilinoquinazoline, Synthesis, JAK3 kinase, Molecular docking

CLC Number:

R916.1

Supporting:

Xiao-Hua Guo, Yu-Zhuo Ma, Yang Zhang, Ying-Xiang Liu^*. Synthesis and molecular docking study of (E)-4-(6,7-dimethoxyquinazolin-4-ylamino)phenyl-3-(4-chlorophenyl)acrylate as a JAK3 inhibitor [J]. , DOI: 10.5246/jcps.2011.02.014.

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