Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
Animals
Carbonic Anhydrase Inhibitors
/ chemistry
Carbonic Anhydrases
/ chemistry
Computer Simulation
Crystallography, X-Ray
Disease Models, Animal
Drug Evaluation, Preclinical
/ methods
Glaucoma
/ drug therapy
Humans
Intraocular Pressure
/ drug effects
Ligands
Male
Proof of Concept Study
Rabbits
Structure-Activity Relationship
Sulfonamides
/ chemistry
Journal
Journal of medicinal chemistry
ISSN: 1520-4804
Titre abrégé: J Med Chem
Pays: United States
ID NLM: 9716531
Informations de publication
Date de publication:
09 07 2020
09 07 2020
Historique:
pubmed:
11
6
2020
medline:
28
11
2020
entrez:
11
6
2020
Statut:
ppublish
Résumé
The "tail approach" has become a milestone in human carbonic anhydrase inhibitor (hCAI) design for various therapeutics, including antiglaucoma agents. Besides the classical hydrophobic/hydrophilic division of hCAs active site, several subpockets have been identified at the middle/outer active sites rim, which could be targeted to increase the CAI isoform selectivity. This postulate is explored here by three-tailed benzenesulfonamide CAIs (
Identifiants
pubmed: 32519851
doi: 10.1021/acs.jmedchem.0c00733
pmc: PMC8008423
doi:
Substances chimiques
Carbonic Anhydrase Inhibitors
0
Ligands
0
Sulfonamides
0
Carbonic Anhydrases
EC 4.2.1.1
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
7422-7444Références
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