Biologically active 4-thiazolidinones: a review of QSAR studies and QSAR modeling of antitumor activity.
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.
Department of Pharmaceutical Disciplines, Uzhgorod National University, Uzhgorod 88000, Ukraine.
Oleh
O
Devinyak
Borys
B
Zimenkovsky
Roman
R
Lesyk
D000465:Algorithms; D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D045744:Cell Line, Tumor; D015195:Drug Design; D006801:Humans; D016014:Linear Models; D009369:Neoplasms / Q000188:drug therapy; D016011:Normal Distribution; D021281:Quantitative Structure-Activity Relationship; D054852:Small Molecule Libraries / Q000737:chemistry* / Q000494:pharmacology; D053778:Thiazolidines / Q000737:chemistry* / Q000494:pharmacology
D000970:Antineoplastic Agents; D054852:Small Molecule Libraries; D053778:Thiazolidines