Flowchart of the parallel screening strategy.

(A) Parallel screening against WT and MDR NAs. Compounds of the compound library were docked into both NAs using GEMDOCK. (B) Characterization of the mutant subsite by site-moiety map analysis. In the NA site-moiety map, the hydrogen-bonding anchor (colored green) represents a polar environment interacting with polar moieties. (C) Selection of potential anti-resistance inhibitors. Compounds that simultaneously matched characteristics of the 5 subsites for the WT and MDR NAs were selected. (D) Bioassay for verifying the effects of selected compounds on WT and MDR NAs.