QSAR Study of p56lck Protein Tyrosine Kinase Inhibitory Activity of Flavonoid Derivatives Using MLR and GA-PLS
2008

Study of Flavonoid Derivatives as Protein Kinase Inhibitors

Sample size: 50 publication Evidence: moderate

Author Information

Author(s): Fassihi Afshin, Sabet Razieh

Primary Institution: Isfahan University of Medical Sciences and Health Services

Hypothesis

The study investigates the relationship between the molecular structure of flavonoid derivatives and their inhibitory activity against p56lck protein tyrosine kinase.

Conclusion

The study found that substituent electronic descriptors significantly impact the inhibitory activity of flavonoid derivatives against protein tyrosine kinase.

Supporting Evidence

  • The GA-PLS model had a high statistical quality with R2 = 0.74 and Q2 = 0.61.
  • Different QSAR models revealed significant impacts of substituent electronic descriptors on inhibitory activity.
  • The study compared the predictive ability of MLR and GA-PLS methods, finding GA-PLS to be superior.

Takeaway

This study looks at how different flavonoid compounds can stop a specific protein from working, which might help in treating diseases.

Methodology

The study used multiple linear regression (MLR) and genetic algorithm partial least squares (GA-PLS) methods to analyze the data.

Limitations

The study may be limited by the specific set of flavonoid derivatives analyzed and the descriptors used.

Statistical Information

P-Value

p<0.05

Statistical Significance

p<0.05

Digital Object Identifier (DOI)

10.3390/ijms9091876

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