Binding mechanism of the tyrosine-kinase inhibitor nilotinib to human serum albumin determined by 1 H STD NMR, 19 F NMR, and molecular modeling

2016 ◽  
Vol 124 ◽  
pp. 1-9 ◽  
Author(s):  
Jin Yan ◽  
Di Wu ◽  
Pingchuan Sun ◽  
Xiaoli Ma ◽  
Lili Wang ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Tyrosine Kinase ◽  
Serum Albumin ◽  
Human Serum ◽  
Tyrosine Kinase Inhibitor ◽  
Kinase Inhibitor ◽  
Binding Mechanism ◽  
Std Nmr ◽  
19 F Nmr

Interactions between the antiviral drug telaprevir and human serum albumin: a combined study with spectroscopic methods and molecular modeling

2018 ◽  
Vol 42 (12) ◽  
pp. 9791-9800 ◽  
Author(s):  
Xinnuo Xiong ◽  
Ruixue Gan ◽  
Zili Suo ◽  
Peixiao Tang ◽  
Shuangshuang Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Dynamics Simulations ◽  
Antiviral Drug ◽  
Spectroscopic Methods ◽  
Binding Mechanism ◽  
Dynamics Simulations

The binding mechanism between telaprevir and human serum albumin was explored by combining spectroscopic methods and molecular dynamics simulations.

Characterization of the interaction between acotiamide hydrochloride and human serum albumin: 1H STD NMR spectroscopy, electrochemical measurement, and docking investigations

RSC Advances ◽  
2016 ◽  
Vol 6 (66) ◽  
pp. 61119-61128 ◽  
Author(s):  
Jiawei He ◽  
Hongqin Yang ◽  
Shanshan Li ◽  
Kailin Xu ◽  
Qing Wang ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Electrochemical Measurement ◽  
Binding Mechanism ◽  
Comprehensive Investigation ◽  
Std Nmr

The comprehensive investigation of acotiamide hydrochloride and HSA interaction provides a convictive explanation for its binding mechanism.

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