Fig. 1

Drug screening based on SOAT1 protein. a Structure-based SOAT1 protein virtual screening yielded 62 potential compounds (in orange). The top 200 compounds were selected from the screening results of each software and were screened by at least three other software platforms. All results were compared with avasimibe, with a relative standard deviation (RSD) < 15%. b Both the SOAT1 receptor and control compound (nilotinib) from the screened compounds bound at the catalytic site as compared with the positive control nevanimibe. c Drug screening schematic of the SOAT1 protein by surface plasmon resonance (SPR). d The KD of the known co-crystal ligands (nevanimibe) of SOAT1 was calculated by SPR to confirm the reliability of the system. e SPR fragment library screening verified 33 virtual screening results. Among them, there were 10 compounds with a response unit (RU) > 10 (orange histogram), including three positive controls (red star), 16 compounds that did not bind to the protein (black histogram), and 7 other compounds had signal errors (gray histogram). f The KD value of the screened ligands was calculated by SPR