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Dergiler / Physics and Astronomy Reports / 2023 / Volume: 1 Issue: 2

A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids

Bilge Bıçak(Istanbul University, Faculty of Science, Department of Physics)0000-0003-1147-006X
Serda Kecel Gündüz(Istanbul University, Faculty of Science, Department of Physics)0000-0003-0973-8223
Sayfa
—
Yayın Tarihi
2023-12-21
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⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

In this study, optimized structures, chemical stability, interactions with DNA and ADMET profiles of hydroxycinnamic acids (caffeic acid, ferulic acid, p-coumaric acid, and sinapic acid) were elucidated.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:Phytochemicals are important compounds produced by plants that have various beneficial effects on human health.
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Temel Bulgular & Veri:These compounds are found in plant structures and are known to exhibit properties such as anticancer, antioxidant, and antiviral effects, making them valuable for medical studies as potential active ingredients for drugs.
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Sonuç & Katkı:In this study, optimized structures, chemical stability, interactions with DNA and ADMET profiles of hydroxycinnamic acids (caffeic acid, ferulic acid, p-coumaric acid, and sinapic acid) were elucidated.
🔬Tür:Research Article
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Molecular Docking · ADMET · Hydroxycinnamic acids

Abstract

Phytochemicals are important compounds produced by plants that have various beneficial effects on human health. These compounds are found in plant structures and are known to exhibit properties such as anticancer, antioxidant, and antiviral effects, making them valuable for medical studies as potential active ingredients for drugs. Phenolic compounds are compounds that have a protective effect in various disease classes such as cardiovascular diseases, cancer, and neurodegenerative diseases. Hydroxycinnamic acids are also phenolic compounds, and prominent groups of compounds include p-coumaric acid, caffeic acid, sinapic acid and ferulic acid. These compounds are known to have various therapeutic effects, from antioxidant to anticancer effects. DNA, one of the receptors used as a target in anticancer studies, is targeted by small molecules with therapeutic effect. Theoretically, an estimate of such interactions can be made at the atomic level with the molecular docking method. In addition, pharmacokinetic properties can be determined by making estimations of absorption, distribution, metabolism, excretion, and toxicity of drug candidate molecules with ADMET studies. In this study, optimized structures, chemical stability, interactions with DNA and ADMET profiles of hydroxycinnamic acids (caffeic acid, ferulic acid, p-coumaric acid, and sinapic acid) were elucidated.

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Bu Makaleye Atıf Yap

Bıçak, B., Gündüz, S. K. (2023). A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids. Physics and Astronomy Reports, Volume: 1 Issue: 2. https://doi.org/10.26650/PAR.2023.00009

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