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Current Topics in Medicinal Chemistry


ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

Biologically Active 4-Thiazolidinones: A Review of QSAR Studies and QSAR Modeling of Antitumor Activity

Author(s): Oleh Devinyak, Borys Zimenkovsky and Roman Lesyk

Volume 12, Issue 24, 2012

Page: [2763 - 2784] Pages: 22

DOI: 10.2174/1568026611212240006

Price: $65


4-Thiazolidinone is a promising scaffold for the search of new potential antibacterial, antiviral, antidiabetic and anticancer agents etc. SAR analysis of the most potent compounds and different activities evaluation provide a solid background for de novo design of novel drugs. Current review summarizes recent QSAR studies on the 4-thiazolidinones making the emphasis on both technical and interpretative sides of reported models. Several papers among them are devoted to the anticancer activity of 4-thiazolidinone derivatives and are reporting QSAR models that were obtained via multiple linear regressions (MLR). Additionally, a non-linear approach, namely Gaussian processes, has been applied to identify the relationships between 4-thiazolidinones structure and tumor cell growth inhibition. The interpretation of the reported model highlights the core template for the design of new highly-potent anticancer agents and proposes a hypothesis about key role of Hydrogen at the N-atom three bonds away from thiazolidine in the interaction with biotarget.

Keywords: Anticancer activity, Gaussian processes, QSAR, rhodanines, 4-thiazolidinones, 2, 4-thiazolidinediones

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