Stacking with No Planarity?

ACS Med Chem Lett. 2016 Apr 6;7(4):341-4. doi: 10.1021/acsmedchemlett.6b00099. eCollection 2016 Apr 14.


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.

Keywords: Stacking; drug design; matched molecular pair.