Figure 1. Identification of the lead compound XIE18-6 as p18 small molecule inhibitor (or p18SMI).

(A) Docked pose of XIE18-6 in the p18 binding pocket: protein surface is colored by lipophilic potential; compound XIE18-6 is shown in different atom types. (B) Proposed interactions between XIE18-6 and p18 residues: p18 is shown as cartoon; residues of p18 are shown as different atom types; XIE18-6 is shown in green sticks and different atom types; hydrogen bonds and π-π interaction are represented as red and blue dashed lines, respectively. (C) Bioactivity exploration of XIE18-6 over HSCs using the single cell culture assay. Data is mean ± SD for all experiments of two or more and were performed in duplicate or triplicate. (D) Synthesis of XIE18-6. Reagents and conditions are as follows: i) HSO₃Cl, 60 °C; ii) H₂SO₄, HNO₃, 72 h; iii) TEA, THF, 12 h.