Abstract
This viewpoint describes the results obtained from matched molecular pair analyses and quantum mechanics calculations that show unsaturated rings found in drug-like molecules may be replaced with their saturated counterparts without losing potency even if they are engaged in stacking interactions with the side chains of aromatic residues.
Supporting Information
The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acsmedchemlett.6b00099.
Geometries and energies obtained from ab initio calculations and BindingDB pairs with the BindingDB ids, affinity data, smiles strings, and target information (PDF)
