Conformational Plasticity in Tyrosine Kinase Inhibitor–Kinase Interactions Revealed with Fluorescence Spectroscopy and Theoretical Calculations

2018 ◽  
Vol 122 (17) ◽  
pp. 4667-4679 ◽  
Author(s):  
Muhammad Khattab ◽  
Feng Wang ◽  
Andrew H. A. Clayton
Keyword(s):  
Fluorescence Spectroscopy ◽  
Tyrosine Kinase ◽  
Tyrosine Kinase Inhibitor ◽  
Kinase Inhibitor ◽  
Theoretical Calculations ◽  
Conformational Plasticity

Protonation of Tyrosine Kinase Inhibitor Lapatinib: A Theoretical and Experimental Study

2019 ◽  
Vol 800 ◽  
pp. 19-24
Author(s):  
Ilze Grante ◽  
Rihards Klūga ◽  
Liāna Orola
Keyword(s):  
Experimental Study ◽  
Nitrogen Atom ◽  
Tyrosine Kinase ◽  
Tyrosine Kinase Inhibitor ◽  
Kinase Inhibitor ◽  
Theoretical Calculations ◽  
Low Ph ◽  
Vis Spectroscopy ◽  
Semi Empirical

The protonation process of tyrosine kinase inhibitor lapatinib was studied by means of 1HNMR and UV/Vis spectroscopy joint with the theoretical calculations at DFT and semi-empirical levels. DFT/M06-2X geometries were used to describe and compare the different cationic forms of lapatinib, while ZINDO/S-CI method performed on those geometries allowed for the interpretation of experimental UV/Vis spectra of lapatinib at various pH. We found that at low pH two different dicationic forms (N2N1 and N1N3) of lapatinib were present in ethanol and DMSO-d6 solutions. The first protonation, however, occurred on the aliphatic N1 in DMSO-d6, while in ethanol solutions most probably the quinazoline nitrogen atom N2 was also protonated.

Tyrosine kinase inhibitor (TKI) treatment outcome of stage IV-C thyroid differentiated cancer (analyzed by lesion evaluation)

2018 ◽  
Author(s):  
Hiroyuki Iwasaki ◽  
Haruhiko Yamazaki ◽  
Nobuyasu Suganuma ◽  
Yuko Sugawara ◽  
Naoki Gotoh ◽  
...  
Keyword(s):  
Treatment Outcome ◽  
Tyrosine Kinase ◽  
Tyrosine Kinase Inhibitor ◽  
Kinase Inhibitor ◽  
Stage Iv ◽  
Tki Treatment
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