Design, synthesis, docking studies and bioactivity evaluation of 1,2,3-triazole eugenol derivatives.
Future Med Chem
; : 1-15, 2024 Aug 19.
Article
en En
| MEDLINE
| ID: mdl-39157870
ABSTRACT
Aim:
The design, synthesis, docking studies and evaluation of the in vitro antifungal and cytotoxic properties of eugenol (EUG) containing 1,2,3-triazole derivatives are reported. Most of the derivatives have not been reported.Materials &methods:
The EUG derivatives were synthesized, molecular docked and tested for their antifungal activity.Results:
The compounds showed potent antifungal activity against Trichophyton rubrum, associated with dermatophytosis. Compounds 2a and 2i exhibited promising results, with 2a being four-times more potent than EUG. The binding mode prediction was similar to itraconazole in the lanosterol-14-α-demethylase wild-type and G73E mutant binding sites. Additionally, the pharmacokinetic profile prediction suggests good gastrointestinal absorption and potential oral administration.Conclusion:
Compound 2a is a promising antifungal agent against dermatophytosis caused by T. rubrum.
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Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Future Med Chem
Año:
2024
Tipo del documento:
Article
País de afiliación:
Brasil
Pais de publicación:
Reino Unido