Stacking with No Planarity?
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.
Department of Structural Chemistry, Merck & Co., Inc. , 33 Avenue Louis Pasteur, Boston, Massachusetts 02115, United States.
Hakan
H
Gunaydin
Department of Molecular Engineering, Therapeutic Discovery , One Amgen Center Drive, Thousand Oaks, California 91320, United States.
Michael D
MD
Bartberger
Stacking; drug design; matched molecular pair