Araştırma Makalesi
BibTex RIS Kaynak Göster
Yıl 2023, , 74 - 84, 21.12.2023
https://doi.org/10.26650/PAR.2023.00009

Öz

Kaynakça

  • Alam M., Ahmed S., Elasbali A. M., Adnan M., Alam S., Hassan M. google scholar
  • I., Pasupuleti V. R., 2022, Front. Oncol., 12, 860508 google scholar
  • Ali I., Lone M. N., Alothman Z. A., Alwarthan A., 2017, J. Mol. Liq., 234, 391 google scholar
  • Bıçak B., 2023, J. Biomol. Struct. Dyn., 1 google scholar
  • Bıçak B., Keçel Gündüz S., Budama Kılınc Y., Imhof P., Gök B., Akman G., Özel A. E., 2022, J. Biomol. Struct. Dyn., 40, 12148 google scholar
  • DeLano W. L., 2002, Protein Crystallogr, 40, 82 google scholar
  • Drew H. R., Wing R. M., Takano T., Broka C., Tanaka S., Itakura K., Dickerson R. E., 1981, PNAS, 78, 2179 google scholar
  • Frisch M. J., et al., 2009, Gaussian, Inc., Wallingford CT google scholar
  • Jung J. E., et al., 2007, Carcinog., 28, 1780 google scholar
  • Kang N. J. et al., 2011, Carcinog., 32, 921 google scholar
  • Kianmehr Z., Khorsandi K., Mohammadi M., Hosseinzadeh R., 2020, Melanoma Res., 30, 136 google scholar
  • Kim S., et al., 2023, Nucleic Acids Res., 51, D1373 google scholar
  • Korkina L., 2007, Cellular and Molecular Biology, 53, 15 google scholar
  • Niciforovic N., Abramovic H., 2014, CRFSFS, 13, 34 google scholar
  • pkCSM: predicting small-molecule pharmacokinetic properties using graph-based signatures. Available online: URL (accessed on 10 September 2023) google scholar
  • Pires D. E., Blundell T. L., Ascher D. B., 2015, J. Med. Chem., 58, 4066 google scholar
  • Roychoudhury S. et al., 2021, Antioxidants, 10, 1205 google scholar
  • Saraç K., 2018, Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, 7, 311 google scholar
  • Sreejith S., Mohan N., Kurup M. P., 2017, Polyhedron, 135, 278 google scholar
  • Trott O., Olson A. J., 2010, J. Comput. Chem., 31, 455 google scholar
  • Tsao R., Deng Z., 2004, J. Chromatogr. B., 812, 85 google scholar
  • Zdunska K., Dana A., Kolodziejczak A., Rotsztejn H., 2018, Skin Pharmacol Physiol., 31, 332 google scholar
  • Zhang G., Zhou Z., Xu J., Liao Y., Hu X., 2019, J. Biomol. Struct. Dyn., 38, 1 google scholar

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

Yıl 2023, , 74 - 84, 21.12.2023
https://doi.org/10.26650/PAR.2023.00009

Öz

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.

Kaynakça

  • Alam M., Ahmed S., Elasbali A. M., Adnan M., Alam S., Hassan M. google scholar
  • I., Pasupuleti V. R., 2022, Front. Oncol., 12, 860508 google scholar
  • Ali I., Lone M. N., Alothman Z. A., Alwarthan A., 2017, J. Mol. Liq., 234, 391 google scholar
  • Bıçak B., 2023, J. Biomol. Struct. Dyn., 1 google scholar
  • Bıçak B., Keçel Gündüz S., Budama Kılınc Y., Imhof P., Gök B., Akman G., Özel A. E., 2022, J. Biomol. Struct. Dyn., 40, 12148 google scholar
  • DeLano W. L., 2002, Protein Crystallogr, 40, 82 google scholar
  • Drew H. R., Wing R. M., Takano T., Broka C., Tanaka S., Itakura K., Dickerson R. E., 1981, PNAS, 78, 2179 google scholar
  • Frisch M. J., et al., 2009, Gaussian, Inc., Wallingford CT google scholar
  • Jung J. E., et al., 2007, Carcinog., 28, 1780 google scholar
  • Kang N. J. et al., 2011, Carcinog., 32, 921 google scholar
  • Kianmehr Z., Khorsandi K., Mohammadi M., Hosseinzadeh R., 2020, Melanoma Res., 30, 136 google scholar
  • Kim S., et al., 2023, Nucleic Acids Res., 51, D1373 google scholar
  • Korkina L., 2007, Cellular and Molecular Biology, 53, 15 google scholar
  • Niciforovic N., Abramovic H., 2014, CRFSFS, 13, 34 google scholar
  • pkCSM: predicting small-molecule pharmacokinetic properties using graph-based signatures. Available online: URL (accessed on 10 September 2023) google scholar
  • Pires D. E., Blundell T. L., Ascher D. B., 2015, J. Med. Chem., 58, 4066 google scholar
  • Roychoudhury S. et al., 2021, Antioxidants, 10, 1205 google scholar
  • Saraç K., 2018, Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, 7, 311 google scholar
  • Sreejith S., Mohan N., Kurup M. P., 2017, Polyhedron, 135, 278 google scholar
  • Trott O., Olson A. J., 2010, J. Comput. Chem., 31, 455 google scholar
  • Tsao R., Deng Z., 2004, J. Chromatogr. B., 812, 85 google scholar
  • Zdunska K., Dana A., Kolodziejczak A., Rotsztejn H., 2018, Skin Pharmacol Physiol., 31, 332 google scholar
  • Zhang G., Zhou Z., Xu J., Liao Y., Hu X., 2019, J. Biomol. Struct. Dyn., 38, 1 google scholar
Toplam 23 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Genel Fizik
Bölüm Araştırma Makalesi
Yazarlar

Bilge Bıçak 0000-0003-1147-006X

Serda Kecel Gündüz Bu kişi benim 0000-0003-0973-8223

Yayımlanma Tarihi 21 Aralık 2023
Gönderilme Tarihi 14 Eylül 2023
Yayımlandığı Sayı Yıl 2023

Kaynak Göster

APA Bıçak, B., & Kecel Gündüz, S. (2023). A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids. Physics and Astronomy Reports, 1(2), 74-84. https://doi.org/10.26650/PAR.2023.00009
AMA Bıçak B, Kecel Gündüz S. A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids. Physics and Astronomy Reports. Aralık 2023;1(2):74-84. doi:10.26650/PAR.2023.00009
Chicago Bıçak, Bilge, ve Serda Kecel Gündüz. “A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids”. Physics and Astronomy Reports 1, sy. 2 (Aralık 2023): 74-84. https://doi.org/10.26650/PAR.2023.00009.
EndNote Bıçak B, Kecel Gündüz S (01 Aralık 2023) A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids. Physics and Astronomy Reports 1 2 74–84.
IEEE B. Bıçak ve S. Kecel Gündüz, “A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids”, Physics and Astronomy Reports, c. 1, sy. 2, ss. 74–84, 2023, doi: 10.26650/PAR.2023.00009.
ISNAD Bıçak, Bilge - Kecel Gündüz, Serda. “A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids”. Physics and Astronomy Reports 1/2 (Aralık 2023), 74-84. https://doi.org/10.26650/PAR.2023.00009.
JAMA Bıçak B, Kecel Gündüz S. A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids. Physics and Astronomy Reports. 2023;1:74–84.
MLA Bıçak, Bilge ve Serda Kecel Gündüz. “A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids”. Physics and Astronomy Reports, c. 1, sy. 2, 2023, ss. 74-84, doi:10.26650/PAR.2023.00009.
Vancouver Bıçak B, Kecel Gündüz S. A Theoretical Study: DNA Binding and ADMET Profile of Some Hydroxycinnamic Acids. Physics and Astronomy Reports. 2023;1(2):74-8.