Synthesis, Molecular Docking Studies and Antifungal Activity Evaluation of New Thiazolyl-methylen-1,3,4-oxadiazolines as Potential Lanosterol 14α-demethylase Inhibitors
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ONIGA, Smaranda Dafina, ARANICIU, Cătălin, MARC, Gabriel, UNCU, Livia, PALAGE, Mariana Doina, ONIGA, Ovidiu. Synthesis, Molecular Docking Studies and Antifungal Activity Evaluation of New Thiazolyl-methylen-1,3,4-oxadiazolines as Potential Lanosterol 14α-demethylase Inhibitors. In: Revista de Chimie, 2019, nr. 10(70), pp. 3522-3526. ISSN 0034-7752.
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Revista de Chimie
Numărul 10(70) / 2019 / ISSN 0034-7752

Synthesis, Molecular Docking Studies and Antifungal Activity Evaluation of New Thiazolyl-methylen-1,3,4-oxadiazolines as Potential Lanosterol 14α-demethylase Inhibitors


Pag. 3522-3526

Oniga Smaranda Dafina1, Araniciu Cătălin1, Marc Gabriel1, Uncu Livia2, Palage Mariana Doina1, Oniga Ovidiu1
 
1 Iuliu Haţieganu University of Medicine and Pharmacy Cluj-Napoca,
2 ”Nicolae Testemițanu” State University of Medicine and Pharmacy
 
 
Disponibil în IBN: 22 decembrie 2019


Rezumat

Considering the well-established antifungal activity of azole compounds, a new series of thiazolyl-methylen-1,3,4-oxadiazolines derivatives were designed and synthesized as lanosterol-demethylase inhibitors. The final compounds were screened for antifungal activity against the Candida albicans ATCC 90028 strain. Molecular docking studies were performed to investigate the interaction modes between the compounds and the active site of lanosterol 14α-demethylase, which is a target enzyme for anticandidal azoles. Theoretical ADME predictions were also calculated for the final compounds 5a-h.

Cuvinte-cheie
3, 4-oxadiazolines, Candida albicans, Lanosterol 14α-demethylase, Thiazolyl-methylen-1