Synthesis, Characterization, Theoretical Studies and in Vitro Embriyotoxic, Genotoxic and Anticancer Effects of Novel Phenyl(1,4,6-Triphenyl-2-Thioxo-1,2,3,4-Tetrahydropyrimidin-5-yl)Methanone

Akbas, EsvetDepartment of Chemistry, Van Yuzuncu Yil University, Van, Türkiye (författare)

QC 20240708
In this study, phenyl (1,4,6-triphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methanone was obtained by using the Biginelli reaction method. The structure of this compound was analyzed using elemental analysis, IR, 1H, and 13C NMR. The quantum chemical calculations (QCC) of this compound were performed density functional theory (DFT) method, 6–31 G (d, p) base set, and B3LYP functions with the Gaussian09W software package. Literature shows that pyrimidine-derived compounds have very active biological properties. For this reason, the biologically active properties of the synthesized compound were also examined. To determine embryotoxic, genotoxic, and cytotoxic effects of compound, 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT), lactate dehydrogenase (LDH) release, micronucleus (MN) and 8-OH-dG assays were carried out. On the other hand, pharmacokinetic and toxicity properties (ADMET) were predicted in silico via SwissADME and Protox-II web tools. In silico estimates of this compound used in the study showed that the compound has the covetable physicochemical properties for bioavailability. In conclusion, the obtained results of our study clearly showed that this compound exerted strong toxicity potential.

Othman, Khdir A.Department of Chemistry, Van Yuzuncu Yil University, Van, Türkiye; Faculty of science and health, Department of chemistry, Koya University, Koy Sanjaq, Iraq (författare)
Çelikezen, Fatih ÇağlarBitlis Eren University Faculty of Science and Letter, Department of Chemistry, Bitlis, Turkey (författare)
Aydogan Ejder, NebahatDepartment of Medical Microbiology, Faculty of Medicine, Recep Tayyip Erdoğan University, Rize, Turkey (författare)
Turkez, HasanDepartment of Medical Biology, Faculty of Medicine, Atatürk University, Erzurum, Turkey (författare)
Yapca, Omer ErkanDepartment of Obstetrics and Gynecology, Atatürk University Faculty of Medicine, Erzurum, Turkey (författare)
Mardinoglu, AdilKTH,Science for Life Laboratory, SciLifeLab,Systembiologi,Centre for Host-Microbiome Interactions Faculty of Dentistry, Oral & Craniofacial Sciences, King’s College London, London, UK(Swepub:kth)u1t8kmr6 (författare)
Department of Chemistry, Van Yuzuncu Yil University, Van, TürkiyeDepartment of Chemistry, Van Yuzuncu Yil University, Van, Türkiye; Faculty of science and health, Department of chemistry, Koya University, Koy Sanjaq, Iraq (creator_code:org_t)

Ingår i:Polycyclic aromatic compounds (Print): Informa UK Limited, s. 1-181040-66381563-5333

Av författaren/redakt...: Akbas, Esvet; Othman, Khdir A.; Çelikezen, Fatih ...; Aydogan Ejder, N ...; Turkez, Hasan; Yapca, Omer Erka ...; visa fler...; Mardinoglu, Adil; visa färre...

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