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PDBsum entry 5e2r
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References listed in PDB file
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Key reference
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Title
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Discovery of 1,1'-Biphenyl-4-Sulfonamides as a new class of potent and selective carbonic anhydrase xiv inhibitors.
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Authors
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G.La regina,
A.Coluccia,
V.Famiglini,
S.Pelliccia,
L.Monti,
D.Vullo,
E.Nuti,
V.Alterio,
G.De simone,
S.M.Monti,
P.Pan,
S.Parkkila,
C.T.Supuran,
A.Rossello,
R.Silvestri.
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Ref.
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J Med Chem, 2015,
58,
8564-8572.
[DOI no: ]
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PubMed id
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Abstract
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New 1,1'-biphenylsulfonamides were synthesized and evaluated as inhibitors of
the ubiquitous human carbonic anhydrase isoforms I, II, IX, XII, and XIV using
acetazolamide (AAZ) as reference compound. The sulfonamides 1-21 inhibited all
the isoforms, with Ki values in the nanomolar range of concentration, and were
superior to AAZ against all of them. X-ray crystallography and molecular
modeling studies on the adducts that compound 20, the most potent hCA XIV
inhibitor of the series (Ki = 0.26 nM), formed with the five hCAs, provided
insight into the molecular determinants responsible for the high affinity of
this molecule toward the target enzymes. The results pave the way to the
development of 1.1'-biphenylsulfonamides as a new class of highy potent hCA XIV
inhibitors.
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