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TitleUnderstanding interspecies drug response variations between human and rodent P2X7 receptors.
Journal, issue, pagesNat Commun, Vol. 16, Issue 1, Page 10827, Year 2025
Publish dateDec 2, 2025
AuthorsChang-Run Guo / Danqi Sheng / Ji-Yuan Li / Tian-Tian Li / Jia-Bao Yao / Rui Zhang / Ye Huang / Ying-Ying Zhao / Dong-Ping Wang / Jie Chen / Jian Li / Jiang Wang / Yu Zhou / Cheng Shen / Fei Jin / Peng Cao / Motoyuki Hattori / Hong Liu / Ye Yu /
PubMed AbstractDespite intensive development, P2X7 modulators have struggled in translation due to human genetic variability and species-dependent drug responses. Here, we identify PSFL1191, a portal-of-central- ...Despite intensive development, P2X7 modulators have struggled in translation due to human genetic variability and species-dependent drug responses. Here, we identify PSFL1191, a portal-of-central-pocket (PCP)-site inhibitor selective for human and panda P2X7, but inactive against rodents. Cryo-EM structures revealed two distinct PCP sub-pockets: PCP1, a rigid base pocket demanding precise steric complementarity with PSFL1191, and PCP2, a conserved middle cavity targeted by JNJ-54175446, a clinical candidate unaffected by species differences. Species selectivity maps to a deep PCP1 motif (V312-Y295-M105-F103-P96). In P2rx7 mice, PSFL1191 markedly altered macrophage-mediated bacterial clearance and wound healing while preserving basal physiology, effects absent in wild-type animals. Our findings establish the structural basis for interspecies pharmacological divergence in P2X7 modulation and highlight transgenic models as powerful tools for predicting therapeutic efficacy, thereby enabling more precise and efficient drug discovery.
External linksNat Commun / PubMed:41330895 / PubMed Central
MethodsEM (single particle)
Resolution3.29 - 4.0 Å
Structure data

39716

8z0z

EMDB-39716: Cryo-EM structures of the panda P2X7 receptor in complex with JNJ-54175446
PDB-8z0z: Cryo-EM structure of the panda P2X7 receptor in complex with JNJ-54175446
Method: EM (single particle) / Resolution: 3.29 Å

39723

8z1d

EMDB-39723, PDB-8z1d:
Cryo-EM structure of the panda P2X7 receptor in complex with PSFL1191
Method: EM (single particle) / Resolution: 4.0 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

PDB-1l0i:
Crystal structure of butyryl-ACP I62M mutant

PDB-1l0p:
CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX BETWEEN PSYCHROPHILIC ALPHA AMYLASE FROM PSEUDOALTEROMONAS HALOPLANCTIS AND NITRATE

Source
  • ailuropoda melanoleuca (giant panda)
KeywordsTRANSPORT PROTEIN / Channel

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