Gp120 and gp41 are two important envelope glycoproteins that mediate the HIV entering into the CD4+ T cells.A stable 6-helix bundle formed between N-terminal heptad repeat(NHR)domains and C-terminal heptad repeat(CHR)domains of gp41 juxtaposes the viral and cellular membranes for fusion and plays a crucial role in the entry process.[1,2] Non-covalent and covalent inhibitors designed to prevent the 6-helix bundle formation have been proved to be an effective strategy to beat the HIV-1.