Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Synthesis, Conformational Analysis and ctDNA Binding Studies of Flavonoid Analogues Possessing the 3,5-di-tert-butyl-4-hydroxyphenyl Moiety
Δημιουργός/Συγγραφέας:	Tzani, Andromachi Kritsi, Eftichia Tsamantioti, Lamprini Kostopoulou, Ioanna Karadendrou, Maria-Anna [EL] Ζουμπουλάκης, Παναγιώτης[EN] Zoumpoulakis, Panagiotis Detsi, Anastasia
Ημερομηνία:	2022-11-17
Γλώσσα:	Αγγλικά
ISSN:	2076-3921
DOI:	10.3390/antiox11112273
Άλλο:	36421459
Περίληψη:	Flavanones and their biochemical precursors, chalcones, are naturally occurring compounds and consist of privileged scaffolds used in drug discovery due to their wide range of biological activities. In this work, two novel flavanones (3 and 4), the arylidene flavanone 5, and the chalcone 6, displaying structural analogies with butylated hydroxytoluene (BHT), were synthesized via an aldol reaction. According to the antioxidant activity studies of the synthesized flavanones, the arylidene flavanone 5 was the most potent antioxidant (70.8% interaction with DPPH radical and 77.4% inhibition of lipid peroxidation). In addition, the ability of the synthesized compounds to bind with ctDNA was measured via UV-spectroscopy, revealing that chalcone 6 has the strongest interaction with DNA (Kb = 5.0 × 10-3 M-1), while molecular docking was exploited to simulate the compound-DNA complexes. In an effort to explore the conformational features of the novel synthetic flavanones (3 and 4), arylidene flavanone 5, and chalcone 6, theoretical calculations were applied and the calculation of their physicochemical properties was also performed.
Τίτλος πηγής δημοσίευσης:	Antioxidants (Basel, Switzerland)
Τόμος/Κεφάλαιο:	11
Τεύχος:	11
Θεματική Κατηγορία:	[EL] Βιοχημεία[EN] Biochemistry [EL] Χημική Βιολογία[EN] Chemical Biology [EL] Φασματοσκοπία[EN] Spectroscopy [EL] Δομική Βιολογία[EN] Structural Biology [EL] Οργανική χημεία[EN] Organic chemistry
Λέξεις-Κλειδιά:	Aldol reaction Antioxidant activity Arylidene flavanone Chalcones Conformational analysis Flavanones
EU Grant:	Basic Research Programme, PEVE 2020
Κάτοχος πνευματικών δικαιωμάτων:	© 2022 by the authors. Licensee MDPI, Basel, Switzerland.
Όροι και προϋποθέσεις δικαιωμάτων:	This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ 4.0/).
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://www.mdpi.com/2076-3921/11/11/2273
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο