Combinatorial Computational Approaches to Identify Tetracycline Derivatives as Flavivirus Inhibitors
(A) rolitetracycline, (B) doxycycline, (C) tetracycline, and (D) oxytetracycline. Atoms within the compounds are displayed using the CPK model (oxygen in red, nitrogen in blue, and carbon in gray). The side chains of certain residues that overlap with the compounds are displayed. The segments D′o, ko, and lo are present in the pre-fusion conformation, while D′c, kc, and lc are present in the post-fusion conformation.