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Preliminary Structure-Activity Relationship (SAR) of a Novel Series of Pyrazole SKF-96365 Analogues as Potential Store-Operated Calcium Entry (SOCE) Inhibitors.

Camille D DagoPaul Le MauxThierry RoisnelChristophe BrigaudeauYves-Alain BekroOlivier MignenJean-Pierre Bazureau
Published in: International journal of molecular sciences (2018)
From a series of (1R, 1S)-1[β-(phenylalkoxy)-(phenetyl)]-1H-pyrazolium hydrochloride as new analogues of SKF-96365, one has an interesting effect for endoplasmic reticulum (ER) Ca2+ release and store-operated Ca2+ entry (SOCE) (IC50 25 μM) on the PLP-B lymphocyte cell line. A successful resolution of (±) 1-phenyl-2-(1H-pyrazol-1-yl)ethan-1-ol has been developed by using the method of "half-concentration" in the presence of (+)-(1S)- or (-)-(1R)-CSA.
Keyphrases
  • structure activity relationship
  • endoplasmic reticulum
  • molecular docking
  • protein kinase
  • peripheral blood
  • single molecule
  • risk assessment
  • human health
  • molecular dynamics simulations