First-in-Class Isonipecotamide-Based Thrombin and Cholinesterase Dual Inhibitors with Potential for Alzheimer Disease.
Acetylcholinesterase
/ metabolism
Alzheimer Disease
/ drug therapy
Animals
Butyrylcholinesterase
/ metabolism
Cattle
Cholinesterase Inhibitors
/ pharmacology
Factor Xa
/ metabolism
Factor Xa Inhibitors
/ pharmacology
Humans
Molecular Docking Simulation
Piperidines
/ pharmacology
Structure-Activity Relationship
Thrombin
/ metabolism
Alzheimer’s disease
acetylcholinesterase
antithrombotic agents
butyrylcholinesterase
isonipecotamides
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
27 Aug 2021
27 Aug 2021
Historique:
received:
01
08
2021
revised:
24
08
2021
accepted:
25
08
2021
entrez:
10
9
2021
pubmed:
11
9
2021
medline:
22
9
2021
Statut:
epublish
Résumé
Recently, the direct thrombin (thr) inhibitor dabigatran has proven to be beneficial in animal models of Alzheimer's disease (AD). Aiming at discovering novel multimodal agents addressing thr and AD-related targets, a selection of previously and newly synthesized potent thr and factor Xa (fXa) inhibitors were virtually screened by the Multi-fingerprint Similarity Searching aLgorithm (MuSSeL) web server. The
Identifiants
pubmed: 34500640
pii: molecules26175208
doi: 10.3390/molecules26175208
pmc: PMC8434007
pii:
doi:
Substances chimiques
Cholinesterase Inhibitors
0
Factor Xa Inhibitors
0
Piperidines
0
piperidine-4-carboxamide
0
Acetylcholinesterase
EC 3.1.1.7
Butyrylcholinesterase
EC 3.1.1.8
Thrombin
EC 3.4.21.5
Factor Xa
EC 3.4.21.6
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Ministero dell'Istruzione, dell'Università e della Ricerca
ID : PRIN, Grant 201744BN5T_004
Organisme : Ministero dell'Istruzione, dell'Università e della Ricerca
ID : PRIN, Grant 2017RPHBCW_002
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