Design, synthesis and biological evaluation of caffeoyl benzanilides as dual inhibitors of HIV integrase and CCR5The authors declare no competing interests.Electronic supplementary information (ESI) available. See DOI: 10.1039/c6md00311g

Novel series of caffeoyl benzanilide compounds as dual inhibitors of HIV-1 CCR5/IN were designed and synthesized. The biological results indicated that the acetylated compounds with double bonds were reduced, especially compound 9a , which showed potential activity against HIV-1 CCR5 tropic viruses with an EC 50 value of 4.85 μM, as well as binding affinity with IN ( K D 2.4 μM). Molecular modeling studies also suggested the possible binding mode of 9a with CCR5 and IN. These results indicated that 9a has the possibility of being a dual inhibitor of HIV-1. Novel series of caffeoyl benzanilides have been synthesized and evaluated as dual inhibitors of HIV-1 CCR5/IN. Compound 9a exhibited the possibility of being a dual inhibitor of HIV-1.