Title : Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations.

Pub. Date : 2019 Jun 13

PMID : 31223446






1 Functional Relationships(s)
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1 Furthermore, the free energy perturbation calculations and molecular dynamics (MD) studies revealed the GlyT2 amino acid residues critical for the binding and selectivity of both Glycine and our Hit1 compound. Glycine solute carrier family 6 member 5 Homo sapiens