Important features for potential H1 and N1 inhibitors are summarized in Figure 13 . For H1, a salt bridge with Glu83 and H-bond donor and/or electrostatic interactions with Asp103 are important characteristics that should be met. Potential inhibitors for N1 should have salt bridge and/or H-bond formation at Glu228 and interactions with Asp293. These features can be used to identify or design novel drugs for H1 and/or N1. In the case of the TCM de novo derivatives from this study, each compound could structurally fulfill the requirements of both H1 ( Figure 13A,13B,13C ) and N1 ( Figure 13D,13E,13F) binding sites, thus supporting their potential as dual-targeting compounds.