Towards novel S-DABOC inhibitors: Synthesis, biological investigation, and molecular modeling studies

A small family of S-DABO cytosine analogs (S-DABOCs) has been synthesized and biologically evaluated as HIV-1 inhibitor both on wild type and drug-resistant mutants. An interesting compound (5d) has been identified which showed a predicted pharmacokinetic profile similar to that of anti-HIV drugs on the market. Molecular modeling studies have been finally performed in order to rationalize the results.