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Sibel Çelik

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Open access Aug 2026

Structural, Electronic and In Silico Biological Activity Evaluation of 5-methyl-3-phenyl-1H-1,2,4-triazole-5carboxaldehyde Molecule

In this study, the structural, electronic, and biological interaction properties of 5-methyl-3-phenyl-1H-1,2,4-triazole-5-carboxaldehyde(MPTrzCHO), a 1,2,4-triazole derivative, were investigated using density functional theory (DFT) and molecular docking approaches.To determine the most stable geometry of the molecule,...

C. Küçük, Sibel Çelik · 0 citations

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