Alchemical design of pharmacological chaperones with higher affinity for phenylalanine hydroxylase

HIGHLIGHTS

  • who: María Conde-Giménez and colleagues from the Departamento Bioquímica Biología Molecular Celular, Facultad Ciencias, Universidad Zaragoza, Universidad Zaragoza, Zaragoza, Spain have published the paper: Alchemical Design of Pharmacological Chaperones with Higher Affinity for Phenylalanine Hydroxylase, in the Journal: (JOURNAL)
  • what: Using alchemical free energy calculations (AFEC) on the structure of the PAH-IV complex the authors design a new generation of compound IV-analogues with a higher affinity for the enzyme. The feasibility of this approach to obtain PCs with improved binding affinity for the target enzyme was assessed. The . . .

     

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