AZT Binding to DNA and RNA: Molecular Modeling and Biological Significance

In this review we report the application of molecular modeling based on different analytical methods to locate the binding sites of anti-AIDS drug azidothymidine (AZT) in the major and minor grooves of DNA and RNA duplexes. The effects of drug complexation on nucleic acids secondary structures and the biological implication are discussed.Abbreviations: AZT, 3′-azido-3′-deoxythymidine; 8-oxo-dG, 8-oxo-2′-deoxyguanosine; HIV-1, human immunodeficiency virus-1; CE, capillary electrophoresis; FTIR, Fourier transform infrared; A, adenine; C, cytosine; G, guanine; T, thymine; U, uracil; r,drug/polynucleotide (P) molar ratio