Design, synthesis, and pharmacological evaluation of 4- or 6-phenyl-pyrimidine derivatives as novel and selective Janus kinase 3 inhibitors

2020 ◽  
Vol 191 ◽  
pp. 112148 ◽  
Author(s):  
Lei Shu ◽  
Chengjuan Chen ◽  
Xueting Huan ◽  
Hao Huang ◽  
Manman Wang ◽  
...  
Keyword(s):  
Janus Kinase ◽  
Pyrimidine Derivatives ◽  
Design Synthesis ◽  
Pharmacological Evaluation ◽  
Janus Kinase 3

Pharmacophore modeling and 3D-QSAR studies of 2,4-disubstituted pyrimidine derivatives as Janus kinase 3 inhibitors

2020 ◽  
Vol 19 (01) ◽  
pp. 2050001
Author(s):  
Neetu Agrawal
Keyword(s):  
Statistical Significance ◽  
Three Dimensional ◽  
Pharmacophore Model ◽  
3D Qsar ◽  
Pharmacophore Modeling ◽  
Janus Kinase ◽  
Hydrogen Bond Donor ◽  
Pyrimidine Derivatives ◽  
Qsar Studies ◽  
Janus Kinase 3

A robust pharmacophore model was developed and the structure-activity relationship was analyzed using 71 pyrimidine derivatives reported for covalent Janus Kinase 3 (JAK3) inhibition. Pharmacophore modeling developed a five featured pharmacophore: one H-bond acceptor, two H-bond donors, one hydrophobic, and one aromatic ring features. The atom-based three-dimensional QSAR models with statistical significance were generated using the training set of 52 compounds. The excellent predictive correlation coefficients were obtained for 3D models determined using a test set of 19 molecules. The generated QSAR model implies that the hydrophobic character is important for the JAK3 inhibitory activity of these compounds. Additionally, electron-withdrawing and hydrogen bond donor groups at specific positions positively contribute to the JAK3 inhibition potency. These results provided essential three-dimensional structural requirements and the crucial binding features of 2,4-disubstituted pyrimidine derivatives, which may direct for the design and discovery of novel potent JAK3 inhibitors.

Regulation of Ion Channels, Cellular Carriers and Na(+)/K(+)/ATPase by Janus Kinase 3

2017 ◽  
Vol 24 (21) ◽  
Author(s):  
Mentor Sopjani ◽  
Shpetim Shpetim ◽  
Berat Krasniqi ◽  
Miranda Selmonaj ◽  
Mark Rinnerthaler ◽  
...  
Keyword(s):  
Ion Channels ◽  
Janus Kinase ◽  
Janus Kinase 3

Mapping the kinase domain of janus kinase 3

2003 ◽  
Vol 13 (18) ◽  
pp. 3105-3110 ◽  
Author(s):  
Christopher Adams ◽  
David J. Aldous ◽  
Shelley Amendola ◽  
Paul Bamborough ◽  
Colin Bright ◽  
...  
Keyword(s):  
Kinase Domain ◽  
Janus Kinase ◽  
Janus Kinase 3

Design, synthesis and pharmacological evaluation of tricyclic derivatives as selective RXFP4 agonists

2021 ◽  
pp. 104782
Author(s):  
Lin Lin ◽  
Guangyao Lin ◽  
Qingtong Zhou ◽  
Ross A.D. Bathgate ◽  
Grace Qun Gong ◽  
...  
Keyword(s):  
Design Synthesis ◽  
Pharmacological Evaluation

Design, Synthesis, and Pharmacological Evaluation of Glutamate Carboxypeptidase II (GCPII) Inhibitors Based on Thioalkylbenzoic Acid Scaffolds

2012 ◽  
Vol 55 (12) ◽  
pp. 5922-5932 ◽  
Author(s):  
Doris Stoermer ◽  
Dilrukshi Vitharana ◽  
Niyada Hin ◽  
Greg Delahanty ◽  
Bridget Duvall ◽  
...  
Keyword(s):  
Design Synthesis ◽  
Glutamate Carboxypeptidase Ii ◽  
Pharmacological Evaluation ◽  
Glutamate Carboxypeptidase
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