- ADYUTAYAM Dergisi
- Cilt: 13 Sayı: 2
- DETERMINATION OF POTENTIAL BIOTECHNOLOGICAL TARGETS OF BRILLIANT BLUE BY USING COMBINATION OF IN SIL...
DETERMINATION OF POTENTIAL BIOTECHNOLOGICAL TARGETS OF BRILLIANT BLUE BY USING COMBINATION OF IN SILICO TARGET FISHING AND MOLECULAR DOCKING TECHNIQUES
Authors : Mehmet Karadayı, Selin Doğan, Taha Yasin Koç, Yusuf Gülşahin, Medine Güllüce
Pages : 45-59
View : 39 | Download : 41
Publication Date : 2025-12-29
Article Type : Research Paper
Abstract :Brillant blue (C47H49N3O7S2), also known as benzenemethanaminium or E133, is one of the most industrially used food colorant. Although use of brilliant blue is commonly accepted as safe in the food regulations, there is a growing concern in the nutrition and health experts due to its synthetic nature and presence of active groups in its molecular structure. In this regard, the present study conducted to investigate potential human targets of brilliant blue by using recent in silico tools. For this, 3D molecular structure of brilliant blue was obtained from PubChem Database (CID: 136664753). Target fishing studies was performed by using TargetNet, an open web server predicting the binding of multiple targets for the given molecules. Then, the results were further analyzed by molecular docking studies using Schrödinger Maestro Suite (ver. 13.9). According to the target fishing studies, 16 potential human targets including 5-hydroxytryptamine_receptor_1E, Bcl-2-related_protein_A1, Caspase-9, COUP_transcription_factor_2, Cytochrome_P450_2C9, DNA_(cytosine-5)-methyltransferase_1, DNA_dCdU-editing_enzyme_APOBEC-3A, Dual_specificity_protein_phosphatase_3, Galanin_receptor_type_3, G-protein_coupled_receptor_35, Hepatocyte_nuclear_factor_4-alpha, Nuclear_receptor_ROR-alpha, Perilipin-1, Perilipin-5, Toll-like_receptor_9, Tyrosine-protein_kinase_Fyn were determined. Molecular docking results revealed and validated the interactions, binding affinities between brilliant blue and the targets varied from -4.447 to -7.604 kcal/mol. Thus, a valuable information on the potential targets of brilliant blue was gained for the biotechnology research.Keywords : E133, Gıda renklendirici, Hedef balıkçılığı, Moleküler yerleştirme, Silico hedef araçları.
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