Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Conformational and Functional Properties of the Bioactive Thiosemicarbazone and Thiocarbohydrazone Compounds
Δημιουργός/Συγγραφέας:	Georgiou, Nikitas Apostolou, Ektoras Vasileios Vassiliou, Stamatia [EL] Τζέλη, Δήμητρα[EN] Tzeli, Demeter [EL] Μαυρομούστακος, Θωμάς[EN] Mavromoustakos, Thomas
Ημερομηνία:	2025-08-22
Γλώσσα:	Αγγλικά
ISSN:	1467-3045
DOI:	10.3390/cimb47090676
Άλλο:	41020798
Περίληψη:	Thiosemicarbazones and thiocarbohydrazones are key sulfur-containing organic compounds known for their diverse biological, pharmaceutical, and industrial applications. Beyond their well-established therapeutic potential, their strong chelating ability allows them to form stable complexes with transition metals, enabling uses in catalysis, corrosion inhibition, and dyeing processes. Their structural characteristics and dynamic conformations critically influence both biological activity and industrial performance, making nuclear magnetic resonance (NMR) spectroscopy an indispensable tool for their analysis. This review provides a comprehensive overview of the conformational and functional properties of bioactive thiosemicarbazones and thiocarbohydrazones, with a focus on how experimental NMR techniques are used to investigate their conformational behavior. In addition to experimental findings, available computational data are discussed, offering complementary insights into their structural dynamics. The integration of experimental and theoretical approaches offers a robust framework for predicting the behavior and interactions of these compounds, thereby informing the rational design of novel derivatives with improved functionality. By highlighting key structural features and application contexts, this work addresses a critical gap in the current understanding of these promising agents across both biomedical and industrial domains.
Τίτλος πηγής δημοσίευσης:	Current issues in molecular biology
Τόμος/Κεφάλαιο:	47
Τεύχος:	9
Θεματική Κατηγορία:	[EL] Οργανική χημεία[EN] Organic chemistry [EL] Φασματοσκοπία[EN] Spectroscopy [EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Φαρμακευτική χημεία[EN] Pharmaceutical chemistry
Λέξεις-Κλειδιά:	DFT NMR thiocarbohydrazones thiosemicarbazones
Κάτοχος πνευματικών δικαιωμάτων:	© 2025 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://doi.org/10.3390/cimb47090676
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο