Design, synthesis and inhibition evaluation of novel chalcone amide α-glucosidase inhibitors.
Future Med Chem
; 16(13): 1333-1345, 2024 Jul 02.
Article
in En
| MEDLINE
| ID: mdl-39109435
ABSTRACT
Aim:
The purpose of this study is to design and synthesize a series of novel chalcone amide α-glucosidase (AG) inhibitors (L1-L10) based on virtual screening and molecular dynamics (MD) simulation. Materials &methods:
Target compounds (L1-L10) were synthesized from 2-hydroxyacetophenone and methyl 4-formylbenzoate.Results:
In vitro activity test shows that most compounds have good AG inhibition. Specially, compound L4 (IC50 = 8.28 ± 0.04 µM) had the best inhibitory activity, superior to positive control acarbose (IC50 = 8.36 ± 0.02 µM). Molecular docking results show that the good potency of L4 maybe attributed to strong interactions between chalcone skeleton and active site, and the torsion of carbon nitrogen bond in amide group.Conclusion:
Compound L4 maybe regard as a good anti-Type II diabetes candidate to preform further study.
[Box see text].
Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Drug Design
/
Alpha-Glucosidases
/
Molecular Docking Simulation
/
Glycoside Hydrolase Inhibitors
/
Amides
Limits:
Humans
Language:
En
Journal:
Future Med Chem
Year:
2024
Document type:
Article
Affiliation country:
Publication country:
ENGLAND
/
ESCOCIA
/
GB
/
GREAT BRITAIN
/
INGLATERRA
/
REINO UNIDO
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SCOTLAND
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UK
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UNITED KINGDOM