PHARMACOPHORE DISCOVERY FOR ACE INHIBITION (OxUni)

Identify the structure (pharmacophore) responsible for the activity of
ACE (Angiotensin-converting enzyme) inhibitors
from 28 molecules that display the activity of ACE inhibition

Molecules described by 3D-atom and bond information

Background knowledge about atom groups
and distances between pairs of groups

P-PROGOL discovered a four-piece pharmacophore
with one zinc-binder and three hydrogen acceptors
that is present in all molecules and
is equivalent to the generally accepted pharmacophore for ACE inhibition
(according to expert opinion)
 

more information

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