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TitleDiscovery of Diphenyl Ether Derivatives as Novel BK Channel Activators: Structure-Activity Relationship, Cryo-EM Complex Structures, and Animal Studies.
Journal, issue, pagesJ Med Chem, Vol. 68, Issue 4, Page 4259-4286, Year 2025
Publish dateFeb 27, 2025
AuthorsSoo Bin Park / Na Young Lee / Eun-Young Lee / Subin Kim / Narasaem Lee / Eun Chae Roh / Yoon Gyoon Kim / Hee Jin Kim / Mi Sun Jin / Chul-Seung Park / Yong-Chul Kim /
PubMed AbstractThe BK channel, a large-conductance calcium-activated potassium channel, plays a crucial role in maintaining the homeostasis of the micturition cycle and airway-related functions. In this study, we ...The BK channel, a large-conductance calcium-activated potassium channel, plays a crucial role in maintaining the homeostasis of the micturition cycle and airway-related functions. In this study, we optimized a novel BK channel activator, , with a diphenyl ether structure identified from library screening. This led to the discovery of potent activators, (EC = 0.12 μM, cell-based assay) and , an orally bioavailable derivative. Compound demonstrated potent efficacy in a spontaneous hypertensive rat (SHR) of urinary incontinence model, while compound showed dose-dependent cough suppression efficacy with an ED of 11.8 mg/kg in a citric acid-induced cough model. Furthermore, we reported the cryo-electron microscopy (cryo-EM) structures of the BK channel in complex with and at resolutions of 2.8 and 3.4 Å. Based on structural analyses, we determined the binding sites and key interaction residues of , which were validated via mutation studies.
External linksJ Med Chem / PubMed:39947888
MethodsEM (single particle)
Resolution2.8 - 3.4 Å
Structure data

61642

9jo3

EMDB-61642, PDB-9jo3:
Cryo-EM structure of human BKca channel-compound 10b complex
Method: EM (single particle) / Resolution: 2.8 Å

61643

9jo4

EMDB-61643, PDB-9jo4:
Cryo-EM structure of human BKca channel-compound 51b complex
Method: EM (single particle) / Resolution: 3.4 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-K:
Unknown entry

PDB-1l4e:
The crystal structure of CobT complexed with alpha-ribazole-5'-phosphate

ChemComp-Y01:
CHOLESTEROL HEMISUCCINATE

PDB-1l4f:
The crystal structure of CobT complexed with 4,5-dimethyl-1,2-phenylenediamine and nicotinate mononucleotide

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / BKca channel / compound 10b / Cryo-EM / compound 51b

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