Title:Biologically Active 4-Thiazolidinones: A Review of QSAR Studies and QSAR Modeling of Antitumor Activity
Volume: 12
Issue: 24
Author(s): Oleh Devinyak, Borys Zimenkovsky and Roman Lesyk
Affiliation:
Keywords:
Anticancer activity, Gaussian processes, QSAR, rhodanines, 4-thiazolidinones, 2, 4-thiazolidinediones
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.
