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Exploring of antioxidant and antibacterial properties of novel 1,3,4-thiadiazole derivatives: Facile synthesis, structural elucidation and DFT approach to antioxidant characteristics      
Yazarlar
Doç. Dr. Halit MUĞLU
Kastamonu Üniversitesi, Türkiye
Mustafa Akın
Doç. Dr. Muhammet Serdar ÇAVUŞ
Kastamonu Üniversitesi, Türkiye
Hasan Yakan
Ondokuz Mayıs Üniversitesi, Türkiye
Neslihan Şaki
Türkiye
Emre Güzel
Türkiye
Özet
In recent years, compounds containing thiophene and 1,3,4-thiadiazole skeletons have become important cyclic compounds, especially in medicinal chemistry. In this manner, we synthesized and isolated seven 1,3,4-thiadiazole derivatives with thiophene groups and fully characterized by elemental analysis and general spectroscopic methods such as 1H NMR, 13C NMR, and FT-IR. Antibacterial activities of the title compounds were investigated by using TLC-Dot blot, macro dilution, well diffusion, and growth curve analysis methods. Compounds 1 and 6 showed inhibitory activities against all tested gram-negative and gram-positive bacteria. TLC-DPPH and DPPH assays, on the other hand, were performed to detect the antioxidant activities of the 1,3,4-thiadiazole derivatives and compound 1 exhibited the highest antioxidant activity at all tested concentrations. QTAIM and NCI calculations were performed as well as structural, electronic, and spectral analyzes using density functional theory (DFT). Calculations were carried out at the B3lyp/6–311 + +g(2d,2p) level of theory, and the data were used to examine the antioxidant activity of the compounds.
Anahtar Kelimeler
1,3,4-thiadiazole,Biochemical assessment,Antioxidant activity,Antibacterial activity,Theoretical investigation
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Computational Biology and Chemistry
Dergi ISSN 1476-9271
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q2
Makale Dili İngilizce
Basım Tarihi 02-2022
Cilt No 96
Sayı 107618
Doi Numarası 10.1016/j.compbiolchem.2021.107618
Makale Linki http://dx.doi.org/10.1016/j.compbiolchem.2021.107618