QSAR study of flavonoid derivatives as p56lck tyrosinkinase inhibitors.
QSAR studies on 104 flavonoid derivatives as p56lck protein tyrosine kinase inhibitors were performed using hydration energy and logP as predictor parameters. The results obtained demonstrate in detail, which specify that hydration energy and hydrophobic parameters of the compounds play a significant role in developing QSAR models. The significance of presence and absence of substituents on particular position is successfully explored with the help of indicator parameters. The results are critically discussed on the basis of multiple linear regression parameters.
Department of Chemistry, Softvision Institute of Biotechnology, Indore, India. abhilashthakur@yahoo.com
Abhilash
A
Thakur
S
S
Vishwakarma
Mamta
M
Thakur
D005419:Flavonoids / Q000737:chemistry* / Q000494:pharmacology*; D057927:Hydrophobic and Hydrophilic Interactions; D016014:Linear Models; D019860:Lymphocyte Specific Protein Tyrosine Kinase p56(lck) / Q000037:antagonists & inhibitors*; D021281:Quantitative Structure-Activity Relationship; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
D005419:Flavonoids; D014867:Water; D019860:Lymphocyte Specific Protein Tyrosine Kinase p56(lck)