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4-aroylpiperidines and 4-(α-hydroxyphenyl)piperidines as selective sigma-1 receptor ligands: synthesis, preliminary pharmacological evaluation and computational studies.

Hermia N IkomeFidele Ntie-KangMoses N NgemenyaZhude TuRobert H MachSimon M N Efange
Published in: Chemistry Central journal (2016)
It was found that these compounds have higher selectivities for sigma-1 receptors compared to 1. Quantitatitive structure-activity relationship studies revealed that sigma-1 binding is driven by hydrophobic interactions.Graphical abstractIdentified pharmacophore features for sigma binding.
Keyphrases
  • structure activity relationship
  • case control
  • binding protein
  • dna binding
  • molecular docking
  • single cell
  • ionic liquid
  • aqueous solution
  • molecular dynamics simulations