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

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

Journal Name: Current Topics in Medicinal Chemistry

Volume 12 , Issue 24 , 2012

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Abstract:

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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Article Details

VOLUME: 12
ISSUE: 24
Year: 2012
Page: [2763 - 2784]
Pages: 22
DOI: 10.2174/1568026611212240006
Price: $58

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