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Rhodanine as a scaffold in drug discovery: a critical review of its biological activities and mechanisms of target modulationTomašič, Tihomir ; Peterlin-Mašič, LucijaIntroduction: Rhodanine-based compounds have been associated with numerous biological activities. After many years of research in drug discovery, they have gained a reputation as being pan assay ... interference compounds (PAINS) andfrequent hitters in screening campaigns. Rhodanine-based compounds are also aggregators that can non-specifically interact with target proteins as well as Michael acceptors and interfere photometrically in biological assays due to their color. Areas covered: The authors review the recently reported biological activities of rhodanine-based compounds. Furthermore, the article provides details of their synthesis and occurrence in compound libraries through high-throughput screening (HTS) and virtual high-throughput screening (VHTS). Additionally, the authors provide the reader with possible mechanisms of non-specific target modulation, analysis of the crystal structures of enzyme--rhodanine complexes and a comparison of rhodanine and thiazolidine-2,4-dione moieties. Expert opinion: The biological activity of compounds possessing a rhodanine moiety should be considered very critically despite the convincing data obtained in biological assays. In addition to the lack of selectivity, unusual structure--activity relationship profiles and safety and specificity problems mean that rhodanines are generally not optimizable.Source: Expert opinion on drug discovery. - ISSN 1746-0441 (Vol. 7, no. 7, 2012, str. 549-560)Type of material - article, component partPublish date - 2012Language - englishCOBISS.SI-ID - 3238001
Author
Tomašič, Tihomir |
Peterlin-Mašič, Lucija
Topics
tarčna modulacija |
rodanin |
zdravila |
raziskave
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Database name | Field | Year |
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Tomašič, Tihomir | 28334 |
Peterlin-Mašič, Lucija | 19317 |
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