Synthesis, structural analysis, DFT study, antioxidant activity of metal complexes of N-substituted thiourea

Javadzade, Tahir; Rzayeva, Irada; Demukhamedova, S. D.; Akverdieva, Gulnara; Farzaliyev, Vagif; Sujayev, Afsun; Chiragov, F.M.

doi:10.1016/j.poly.2022.116274

Cited by 1 publication

(2 citation statements)

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“…Inhibition of various enzymes associated with health problems was chosen as a potential target for diseases. In addition to various drugs such as donepezil, rivastigmine, galantamine, and tacrine that give positive results in the treatment of Alzheimer's disease, studies on screening and synthesizing new molecules have been going on for decades [61–63] . Karimov and coworkers declared that diethyldithiocarbamate derivatives exhibited an inhibitory effect on carbonic anhydrases (CA I and CA II), α‐glucosidase, AChE, and BChE enzymes [64] .…”

Section: Resultsmentioning

confidence: 99%

“…In addition to various drugs such as donepezil, rivastigmine, galantamine, and tacrine that give positive results in the treatment of Alzheimer's disease, studies on screening and synthesizing new molecules have been going on for decades. [61][62][63] Karimov and coworkers declared that diethyldithiocarbamate derivatives exhibited an inhibitory effect on carbonic anhydrases (CA I and CA II), α-glucosidase, AChE, and BChE enzymes. [64] The study stated that the level of choline acetyltransferase decreased after the dithiocarb treatment in mice compared to control animals.…”

Section: Biochemical Resultsmentioning

confidence: 99%

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Design, Synthesis, Characterization and Biological Activities of Novel S‐(Acyloxy)butyl‐N,N‐Diethyldithiocarbamate Compounds

et al. 2023

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In this study, S‐(Acyloxy)butyl‐N,N‐Diethyldithiocarbamate compounds (P1‐P7) were synthesized by s‐alkylation of N,N‐diethyldithiocarbamate sodium trihydrate with 4‐chlorobutylcarboxylates. P1–P7 were characterized by full infrared, NMR spectroscopy and elemental analyses. Additionally, the impacts of these compounds were investigated on some metabolic enzymes and then compared to the reference compounds. It was observed that the DEDTCA esters generally had lower IC50 and Ki values. Among them, P4 and P6 molecules had lower IC50 with 112.47 and 111.55 μM; and Ki values: 105.53±7.17 and 102.06±5.08 μM against AChE, respectively. Furthermore, molecular docking simulations approved the binding interaction patterns and structural orientations of N,N‐diethyldithiocarbamic acid derivatives within the binding sites of AChE, BChE and α‐glucosidase. Taken together, the compound P6 performs strong distant bond interactions against tacrine for AChE and BChE enzymes within the scope of in silico study. The compound P4, on the other hand, exhibits good interactions with the target by making hydrophobic, pi‐sulfur and pi‐sigma bonds as well as hydrogen bonds compared to acarbose as standard compound against α‐glucosidase. These can be further analyzed as potent candidate compounds in biological studies of the respective enzymes.

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Section: Resultsmentioning

confidence: 99%