A theoretical study of oleuropein derivatives as drugs

Oleuropein is a natural product revealing a large variety of biological activity. The natural products are functionalized to increase the activity in the pharmaceutical industry. Theoretical calculations were carried out for oleuropein derivatives to display the target compound exhibiting the most biological effects. Hence, synthetic chemists are able to get inspired to synthesize the most active oleuropein derivatives. The chemical properties of oleuropein derivatives have been investigated theoretically. Gaussian method was used for quantum calculations of these compounds. The properties of compounds were presented and the utilization of these compounds in pharmaceutical industries was investigated. The quantum calculations revealed that 2H-oleuropein (3) and 4-aminobutyl-2-oleuropein (2) were unstable and were prone to react to the radical compounds.

Keywords:

Oleuropein Gaussian, 2H-oleuropein,

PDF

___

[1]. Demirtas, I.; Erenler, R.; Elmastas, M.; Goktasoglu, A. Food Chemistry 2013, 136, 34-40.
[2]. Elmastas, M.; Erenler, R.; Isnac, B.; Aksit, H.; Sen, O.; Genc, N.; Demirtas, I. Natural Product Research 2016, 30, 299-304.
[3]. Elmastas, M.; Ozturk, L.; Gokce, I.; Erenler, R.; Aboul-Enein, H. Y. Analytical Letters 2004, 37, 1859-1869.
[4]. Erenler, R.; Meral, B.; Sen, O.; Elmastas, M.; Aydin, A.; Eminagaoglu, O.; Topcu, G. Pharmaceutical Biology 2017, 55, 1646-1653.
[5]. Erenler, R.; Sen, O.; Aksit, H.; Demirtas, I.; Yaglioglu, A. S.; Elmastas, M.; Telci, İ. Journal of the Science of Food and Agriculture 2016, 96, 822-836.
[6]. Aksit, H.; Celik, S. M.; Sen, O.; Erenler, R.; Demirtas, I.; Telci, I.; Elmastas, M. Records of Natural Products 2014, 8, 277-280.
[7]. Erenler, R.; Sen, O.; Yaglioglu, A. S.; Demirtas, I. Comb Chem High Throughput Screen 2016, 19, 66-72.
[8]. Erenler, R.; Sen, O.; Yildiz, I.; Aydin, A. Records of Natural Products 2016, 10, 766-770.
[9]. Psaltopoulou, T.; Kosti, R. I.; Haidopoulos, D.; Dimopoulos, M.; Panagiotakos, D. B. Lipids in health and disease 2011, 10, 127.
[10].Pelucchi, C.; Bosetti, C.; Negri, E.; Lipworth, L.; La Vecchia, C. Current pharmaceutical design 2011, 17, 805-812.
[11]. Schwingshackl, L.; Hoffmann, G. Current nutrition reports 2016, 5, 9-17.
[12]. Servili, M.; Esposto, S.; Fabiani, R.; Urbani, S.; Taticchi, A.; Mariucci, F.; Selvaggini, R.; Montedoro, G. Inflammopharmacology 2009, 17, 76-84.
[13]. Omar, S. H. Scientia pharmaceutica 2010, 78, 133-154.
[14]. Fabiani, R.; Rosignoli, P.; De Bartolomeo, A.; Fuccelli, R.; Servili, M.; Montedoro, G. F.; Morozzi, G. The Journal of Nutrition 2008, 138, 1411-1416.
[15]. Piroddi, M.; Albini, A.; Fabiani, R.; Giovannelli, L.; Luceri, C.; Natella, F.; Rosignoli, P.; Rossi, T.; Taticchi, A.; Servili, M. Biofactors 2017, 43, 17-41.
[16]. Musa, A. Y.; Kadhum, A. A. H.; Mohamad, A. B.; Rahoma, A. A. B.; Mesmari, H. Journal of Molecular Structure: Theochem 2010, 969, 233-237.
[17]. Geerlings, P.; De Proft, F.; Langenaeker, W. Chemical reviews 2003, 103, 1793-1874.
[18]. Tanak, H. Journal of Molecular Structure: Theochem 2010, 950, 5-12.
[19]. Gökalp,F.,.Journal of Food and Drug Analysis,2018,26,657-661.
[20]. Gökalp,F., Nutrition and Cancer, 2021,doi: 10.1080/01635581.2021.1895233.

Turkish Computational and Theoretical Chemistry-Cover

ISSN: 2587-1722
Başlangıç: 2017
Yayıncı: Koray SAYIN

Arşiv

Sayıdaki Diğer Makaleler

Investigation of Antiparasitic Properties of Benzimidazole Derivatives Against Amebiasis

Ahmet Duran ATAŞ, Hilmi ATASEVEN, Koray SAYIN

Investigation of the interactions of anticancer drugs with tyrosine kinase enzyme using semi-empirical methods and comparisons with DFT Calculations

Yusuf İŞ

Metal-Porphyrin Complexes: A DFT Study of Hydrogen Adsorption and Storage

Ahmet KÖSE, Numan YÜKSEL, Mehmet Ferdi FELLAH

A theoretical study of oleuropein derivatives as drugs

Faik GÖKALP, Ramazan ERENLER

Docking and Qsar Studies of Some Quinazolinone Derivatives as Possible Inhibitors of Thyrosine Kinase

Fahimeh GHASEMİ, Elham JAFARİ, Mahmoud MIRZAEI, Karim MAHNAM