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Volume 47
Issue 9
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Curr. Issues Mol. Biol., Volume 47, Issue 9 (September 2025) – 1 article

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16 pages, 2672 KiB  
Review
Conformational and Functional Properties of the Bioactive Thiosemicarbazone and Thiocarbohydrazone Compounds
by Nikitas Georgiou, Ektoras Vasileios Apostolou, Stamatia Vassiliou, Demeter Tzeli and Thomas Mavromoustakos
Curr. Issues Mol. Biol. 2025, 47(9), 676; https://doi.org/10.3390/cimb47090676 (registering DOI) - 22 Aug 2025
Abstract
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 [...] Read more.
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. Full article
(This article belongs to the Section Bioorganic Chemistry and Medicinal Chemistry)
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