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Stacking with No Planarity?


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.

SUBMITTER: Gunaydin H 

PROVIDER: S-EPMC4834644 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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Stacking with No Planarity?

Gunaydin Hakan H   Bartberger Michael D MD  

ACS medicinal chemistry letters 20160406 4


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. ...[more]

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