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1.
Chem Biodivers ; 21(4): e202302067, 2024 Apr.
Article in English | MEDLINE | ID: mdl-38404009

ABSTRACT

This perspective delves into the investigation of synthetic and naturally occurring inhibitors, their patterns of inhibition, and the effectiveness of newly utilized natural compounds as inhibitors targeting the Ornithine decarboxylase enzyme. This enzyme is known to target the MYC oncogene, thereby establishing a connection between polyamine metabolism and oncogenesis in both normal and cancerous cells. ODC activation and heightened polyamine activity are associated with tumor development in numerous cancers and fluctuations in ODC protein levels exert a profound influence on cellular activity for inhibition or suppressing tumor cells. This perspective outlines efforts to develop novel drugs, evaluate natural compounds, and identify promising inhibitors to address gaps in cancer prevention, highlighting the potential of newly designed synthetic moieties and natural flavonoids as alternatives. It also discusses natural compounds with potential as enhanced inhibitors.


Subject(s)
Ornithine Decarboxylase Inhibitors , Ornithine Decarboxylase , Humans , Ornithine Decarboxylase Inhibitors/pharmacology , Polyamines/pharmacology , Polyamines/metabolism , Flavonoids , Cell Transformation, Neoplastic
2.
Phys Chem Chem Phys ; 25(38): 26341-26352, 2023 Oct 04.
Article in English | MEDLINE | ID: mdl-37750227

ABSTRACT

This research explores the influence of different dual donors on the effectiveness of dye sensitizers. We selected 35 diverse donors to construct Y-type dual donor-based dyes, connecting them with thiophene as the π-spacer and cyanoacrylic acid as the acceptor. Density functional theory calculations indicate that these dual donor-based dyes exhibit superior optoelectronic properties compared to their single donor counterparts. Notably, significant variations in charge distribution among the different dual donors affect their donor capabilities. Our calculations specifically highlight the enhanced thermodynamic parameters, including light harvesting efficiency (LHE), the free energy of dye injection (ΔGinject), and regeneration (ΔGreg), for donor moieties containing nitrogen atoms, such as NS-3 (N,N-dimethylaniline), NS-5 (diphenylamine), NS-6 (triphenylamine), and NS-8 (4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline). These results suggest that nitrogen-containing donor moieties act as promising candidates for donors for efficient dye sensitizers. However, further experimental validation in the near future will be necessary to confirm our findings.

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