Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques

Gresa Halimi Syla; Derya Osmaniye; Begüm Nurpelin Sağlık

doi:10.55971/EJLS.1714724

Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques

Abstract

The emergence of resistant fungal strains has created an urgent need for novel antifungal agents with improved efficacy and safety profiles. In this study, we report the design, synthesis, and evaluation of a new series of imidazole-containing thiazole derivatives as potential anti-fungal agents. The compounds were synthesized via a two-step process involving thiourea formation, followed by microwave-assisted cyclization with substituted phenacyl bromides. The resulting products, mostly semi-liquid in nature, were characterized by high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy. The synthesized derivatives were tested in vitro against clinically relevant fungal pathogens, including Candida albicans, Candida glabrata, Candida parapsilosis, and Candida krusei. Structure-activity relationship (SAR) analysis indicated that the antifungal activity was influenced by the electronic and steric properties of the aromatic substituents. Compound 2b, bearing a para-cyano group, exhibited the highest potency, with MIC50 values of 0.98 µg/mL against C. albicans and C. parapsilosis, comparable to standard antifungal agents. Molecular docking studies supported these findings, revealing favorable interactions with fungal target sites, and ADME predictions suggested drug-like properties. This multidisciplinary approach led to the identification of imidazole-based compounds with potent anti-fungal properties, laying the groundwork for further optimization and preclinical development.

Keywords

References

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Details

Primary Language

English

Subjects

Molecular Docking, Pharmaceutical Chemistry

Journal Section

Research Article

Authors

Gresa Halimi Syla ^*
0000-0002-0635-0664
Türkiye

Derya Osmaniye
0000-0002-0499-436X
Türkiye

Begüm Nurpelin Sağlık
0000-0002-0151-6266
Türkiye

Publication Date

May 1, 2026

Submission Date

June 4, 2025

Acceptance Date

August 12, 2025

Published in Issue

Year 2026 Volume: 5 Number: 1

DOI

https://doi.org/10.55971/EJLS.1714724

IZ

https://izlik.org/JA58NH93UY

Cite

RIS / Bibtex

APA

Halimi Syla, G., Osmaniye, D., & Sağlık, B. N. (2026). Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques. European Journal of Life Sciences, 5(1), 15-24. https://doi.org/10.55971/EJLS.1714724

AMA

1.Halimi Syla G, Osmaniye D, Sağlık BN. Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques. Eur J Life Sci. 2026;5(1):15-24. doi:10.55971/EJLS.1714724

Chicago

Halimi Syla, Gresa, Derya Osmaniye, and Begüm Nurpelin Sağlık. 2026. “Synthesis and Antifungal Assessment of Imidazole-Containing Compounds: A Comprehensive Study Integrating Experimental and Computational Techniques”. European Journal of Life Sciences 5 (1): 15-24. https://doi.org/10.55971/EJLS.1714724.

EndNote

Halimi Syla G, Osmaniye D, Sağlık BN (May 1, 2026) Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques. European Journal of Life Sciences 5 1 15–24.

IEEE

[1]G. Halimi Syla, D. Osmaniye, and B. N. Sağlık, “Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques”, Eur J Life Sci, vol. 5, no. 1, pp. 15–24, May 2026, doi: 10.55971/EJLS.1714724.

ISNAD

Halimi Syla, Gresa - Osmaniye, Derya - Sağlık, Begüm Nurpelin. “Synthesis and Antifungal Assessment of Imidazole-Containing Compounds: A Comprehensive Study Integrating Experimental and Computational Techniques”. European Journal of Life Sciences 5/1 (May 1, 2026): 15-24. https://doi.org/10.55971/EJLS.1714724.

JAMA

1.Halimi Syla G, Osmaniye D, Sağlık BN. Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques. Eur J Life Sci. 2026;5:15–24.

MLA

Halimi Syla, Gresa, et al. “Synthesis and Antifungal Assessment of Imidazole-Containing Compounds: A Comprehensive Study Integrating Experimental and Computational Techniques”. European Journal of Life Sciences, vol. 5, no. 1, May 2026, pp. 15-24, doi:10.55971/EJLS.1714724.

Vancouver

1.Gresa Halimi Syla, Derya Osmaniye, Begüm Nurpelin Sağlık. Synthesis and antifungal assessment of imidazole-containing compounds: A comprehensive study integrating experimental and computational techniques. Eur J Life Sci. 2026 May 1;5(1):15-24. doi:10.55971/EJLS.1714724