Fig 1. Putative HIV-1 Vpu inhibitors identified from virtual screening of the p-ANAPL.

A, Structures of four molecules predicted to interact with the Vpu ion channel [20]. B, Alignment of four molecules. Chemical substituents that define a shared pharmacophore are highlighted. C, Eight p-ANAPL molecules containing aspects of the shared pharmacophore. For each compound, root mean square deviation (RMSD) values are shown in parentheses.