New Thiazole Derivatives

Potent Antifungal against Candida albicans, with silico Docking Unveiling Key Protein Interactions

Keywords: Antifungal activity, Bacterial resistance, Candida albicans, DATTn compounds, Drug discovery, Molecular docking

Abstract

While bacterial superbugs have garnered much attention, the rise of antifungal resistance poses a growing threat. This study explores the potential of newly synthesized 2,5-Bis(3,4 Dialkoxy Phenyl) Thiazolo[5,4-d] Thiazoles (DATTn compounds) as antifungal agents. Notably, DATTn compounds demonstrated significant fungicidal activity against Candida albicans, a major fungal pathogen, whereas remaining largely ineffective against common bacterial strains, such as Staphylococcus aureus and Escherichia coli. In silico docking simulations using Schrödinger suites unveiled the molecular basis for this selectivity, revealing strong interactions between DATTn molecules and a crucial fungal protein (Portion Data Bank ID: 8JZN) in C. albicans. These findings highlight the potential of DATTn compounds as promising leads for the development of novel antifungal therapies, particularly in light of escalating drug resistance concerns.

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Author Biographies

Rebaz A. Omer, (1) Department of Chemistry, Faculty of Science and Health, Koya University, Koya, KOY45, Kurdistan Region – F.R. Iraq; (2) Department of Pharmacy, College of Pharmacy, Knowledge University, Erbil 44001, Kurdistan Region – F.R. Iraq

Rebaz A. Omer is an Assistant Prof. at the Department of Chemistry, Faculty of Science and Health, Koya University. He got the B.Sc. degree in Chemistry, the M.Sc. degree in Organic polymers and the Ph.D. degree in Organic and computational chemistry. His research interests are in Drug synthesis and Computational chemistry.

Karzan M. Ahmed, Department of Chemistry, College of Education, University of Garmian, Kalar 46021, Kurdistan Region – F.R. Iraq

Karzan M. Ahmed is a Lecturer at the Department of Chemistry, College of Education, Garmian University. He got the B.Sc. degree in Chemistry, the M.Sc. degree in Medicinal Chemistry (Natural Product) and the Ph.D. degree in Organic Chemistry. His research interests are in Natural Product, Organic Chemistry and Computational
Chemistry.

Khdir A. Othman, Department of Chemistry, Faculty of Science and Health, Koya University, Koya, KOY45, Kurdistan Region – F.R. Iraq

Khdir A. Othman is an Assistant Lecturer at the Department of Chemistry, Faculty of Science and Health, Koya University. He got the B.Sc. degree in Chemistry and the M.Sc. degree in Organic Chemistry. His research interests are in Organic, and Computational chemistry.

Wali M. Hamad, Department of Chemistry, Faculty of Science and Health, Koya University, Koya, KOY45, Kurdistan Region – F.R. Iraq

Wali M. Hamad is a Professor. at the Department of Chemistry, Faculty of Science and Health, Koya University. He got the B.Sc. degree in Chemistry, the M.Sc. degree in Physical Chemistry and the Ph.D. degree in Physical Chemistry. His research interests are in Drug synthesis, and Computational chemistry. His research interests are in physical chemistry and Liquid crystal.

Rahman K. Faraj, Department of Chemistry, College of Science, University of Garmian, Kalar 46021, Kurdistan Region – F.R. Iraq

Rahman K. Faraj is a Lecturer at the Department of Chemistry, College of Science, Garmian University. He got the B.Sc. degree in Biology, the M.Sc. degree in Microbiology and the Ph.D. degree in Microbiology. His research interests are in pathogenic bacteria, antibiotics and the biological activity of Plant and Organic compounds.

Ali J. Muhialdin, Department of Animal Production, College of Agricultural Engineering Sciences, University of Garmian, Kifri 46022, Kurdistan Region – F.R. Iraq

Ali J. Muhialdin is an Assistant Lecturer at the Department of Animal Production, College of Agriculture Engineering science, Garmian University. He got the B.Sc. degree in Biology and the M.Sc. degree in Microbiology. His research interests are in pathogenic bacteria, and antibiotics.

Shalaw K. Salih, Department of Chemistry, Faculty of Science and Health, Koya University, Koya, KOY45, Kurdistan Region – F.R. Iraq

Shalaw K. Salih is an Assistant Lecturer. at the Department of Chemistry, Faculty of Science and Health, Koya University. He got the B.Sc. degree in Chemistry and the M.Sc.degree in Physical Chemistry. His research interests are in physical chemistry and Liquid crystal.

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Published
2024-07-25
How to Cite
Omer, R. A., Ahmed, K. M., Othman, K. A., Hamad, W. M., Faraj, R. K., Muhialdin, A. J. and Salih, S. K. (2024) “New Thiazole Derivatives: Potent Antifungal against Candida albicans, with silico Docking Unveiling Key Protein Interactions”, ARO-THE SCIENTIFIC JOURNAL OF KOYA UNIVERSITY, 12(2), pp. 10-22. doi: 10.14500/aro.11557.