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TitleMolecular mechanism of antihistamines recognition and regulation of the histamine H receptor.
Journal, issue, pagesNat Commun, Vol. 15, Issue 1, Page 84, Year 2024
Publish dateJan 2, 2024
AuthorsDandan Wang / Qiong Guo / Zhangsong Wu / Ming Li / Binbin He / Yang Du / Kaiming Zhang / Yuyong Tao /
PubMed AbstractHistamine receptors are a group of G protein-coupled receptors (GPCRs) that play important roles in various physiological and pathophysiological conditions. Antihistamines that target the histamine H ...Histamine receptors are a group of G protein-coupled receptors (GPCRs) that play important roles in various physiological and pathophysiological conditions. Antihistamines that target the histamine H receptor (HR) have been widely used to relieve the symptoms of allergy and inflammation. Here, to uncover the details of the regulation of HR by the known second-generation antihistamines, thereby providing clues for the rational design of newer antihistamines, we determine the cryo-EM structure of HR in the apo form and bound to different antihistamines. In addition to the deep hydrophobic cavity, we identify a secondary ligand-binding site in HR, which potentially may support the introduction of new derivative groups to generate newer antihistamines. Furthermore, these structures show that antihistamines exert inverse regulation by utilizing a shared phenyl group that inserts into the deep cavity and block the movement of the toggle switch residue W428. Together, these results enrich our understanding of GPCR modulation and facilitate the structure-based design of novel antihistamines.
External linksNat Commun / PubMed:38167898 / PubMed Central
MethodsEM (single particle)
Resolution3.0 - 3.5 Å
Structure data

38074

8x5x

EMDB-38074, PDB-8x5x:
CryoEM structure of the histamine H1 receptor in apo-form
Method: EM (single particle) / Resolution: 3.5 Å

38075

8x5y

EMDB-38075, PDB-8x5y:
CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with astemizole
Method: EM (single particle) / Resolution: 3.0 Å

38078

8x63

EMDB-38078, PDB-8x63:
CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with mepyramine
Method: EM (single particle) / Resolution: 3.2 Å

38079

8x64

EMDB-38079, PDB-8x64:
CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with desloratadine
Method: EM (single particle) / Resolution: 3.4 Å

Chemicals

ChemComp-XB7:
1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine

ChemComp-Y5E:
mepyramine

ChemComp-Y5R:
desloratadine

Source
  • homo sapiens (human)
  • escherichia coli (E. coli)
KeywordsMEMBRANE PROTEIN / GPCR

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