Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Assessing the Phytochemical Profile and Potential of Traditional Herbal Infusions against Aldose Reductase through In Silico Studies and LC-MS/MS Analysis
Δημιουργός/Συγγραφέας:	Tsiaka, Thalia Kritsi, Eftichia Lantzouraki, Dimitra Z. Christodoulou, Paris Tsigrimani, Diamantina Strati, Irini F. Sinanoglou, Vassilia J. [EL] Ζουμπουλάκης, Παναγιώτης[EN] Zoumpoulakis, Panagiotis
Ημερομηνία:	2022
Γλώσσα:	Αγγλικά
ISSN:	2076-3417
DOI:	10.3390/app12168361
Περίληψη:	In the current market, there is a growing interest in traditional herbal nutraceuticals. Therefore, herbal formulations have re-emerged as products with sought-after nutraceutical and disease-preventing properties. The health-promoting effects of herbal bioactives are attributed to the active phytoconstituents of these plants. Thus, the aim of the present study was to evaluate the putative nutraceutical effectiveness of the preparations of ten herbs (chamomile, purple coneflower, lemon verbena, pennyroyal, spearmint, oregano, marjoram, headed savory, sea buckthorn, and St. John’s wort) by combining in silico techniques and LC-MS/MS analysis. The binding potential of the selected phenolic compounds, according to literature and web databases, was investigated by using molecular target prediction tools. Aldose reductase (AR), an enzyme of polyol pathway which is related to hyperglycemic-induced pathologies, emerged as the most promising molecular target. The molecular docking results showed that rosmarinic acid, caftaric acid, naringenin, and quercetin presented the highest binding affinity. In a further step, the phytochemical profile of the examined infusions, obtained by LC-MS/MS analysis, revealed that the abovementioned compounds were present, mainly in the herbs of the Lamiaceae family, designating headed savory as the herbal infusion with possible significant inhibitory activity against AR.
Τίτλος πηγής δημοσίευσης:	Applied Sciences
Τόμος/Κεφάλαιο:	12
Τεύχος:	16
Θεματική Κατηγορία:	[EL] Βιοχημεία[EN] Biochemistry [EL] Βοτανική χημεία. Φυτοχημικά[EN] Botanical chemistry. Phytochemicals [EL] Δομική Βιολογία[EN] Structural Biology [EL] Ενναλακτική ιατρική[EN] Botanic, Thomsonian, and eclectic medicine [EL] Φασματοσκοπία[EN] Spectroscopy [EL] Βιοπληροφορική[EN] Bioinformatics
Λέξεις-Κλειδιά:	Herbal infusions in silico techniques Molecular docking Liquid chromatography-mass spectrometry (LC-MS/MS) Aldose reductase (AR) Phenolic compounds
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/2076-3417/12/16/8361
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο