QSAR analysis for ADA upon interaction with a series of adenine derivatives as inhibitors

Nucleosides Nucleotides & Nucleic Acids

Volume 3 - Number

Article Type: ---- Unspecified ----

The kinetic parameters of adenosine deaminase such as K(m) and K(i) were determined in the absence and presence of adenine derivatives (R(1)-R(24)) in sodium phosphate buffer (50 mM; pH 7.5) solution at 27degreesC. These kinetic parameters were used for QSAR analysis. As such, we found some theoretical descriptors to which the binding affinity, of adenosine deaminase (ADA) towards several adenine nucleosides as inhibitors is correlated. QSAR analysis has. revealed that binding affinity of the adenine nucleosides upon. interaction with ADA depends on the molecular volume, dipole.