Fig. 6: Screening of P2X7 inhibitors based on PCP recognition mechanisms to assess species-specific differences.
From: Understanding interspecies drug response variations between human and rodent P2X7 receptors
a–c Virtual screening and validation of species-independent P2X7 inhibitors. Initially, virtual screening for P2X7 receptor inhibitors was conducted based on the JNJ-54175446/pdP2X7 cryo-structure (a). Subsequently, the inhibitory effects of the compounds identified through virtual screening were preliminarily validated (b, n = 1), and compounds that exhibited significant inhibitory effects underwent repeat validation (50 μM, c). d–f Virtual screening and validation of species-specific differenced P2X7 inhibitors. Initially, virtual screening for P2X7 receptor inhibitors was conducted based on the PSFL1191/pdP2X7 cryo-structure (d). Subsequently, the inhibitory effects of the compounds identified through virtual screening were preliminarily validated (e, n = 1), and compounds that exhibited significant inhibitory effects in the preliminary validation underwent repeat validation (30 μM, f). Sample sizes (n) are annotated in the plots. Summary data are presented as mean ± SEM from independent cells.
