The correlations between chemical structure properties and antiviral activities of HIV-1 inhibitors: The study of anti-AIDS

Document Type : Research Paper




In this work, we calculated the several physico chemical properties containing of solubility (by
VCL), lipophilicity (by milinspiration), dipole and quadrupole moments (by Density Functional
Theory) for 7 AZT analogs, and compared these parameters with inhibition assays of them. It is
resulted; cytotoxicity of these drugs is related with their lipophilicity inversely. With using of this
result, for 7 nucleoside analoges we predict, cytotoxicity addition arrangement are as following:
CBV> d4T> ddI> AZT> ddC> ABC> 3TC