Biologically active 4-thiazolidinones: a review of QSAR studies and QSAR modeling of antitumor activity

Curr Top Med Chem. 2012;12(24):2763-84. doi: 10.2174/1568026611212240006.

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.

Publication types

  • Review

MeSH terms

  • Algorithms*
  • Antineoplastic Agents / chemistry*
  • Antineoplastic Agents / pharmacology
  • Cell Line, Tumor
  • Drug Design
  • Humans
  • Linear Models
  • Neoplasms / drug therapy
  • Normal Distribution
  • Quantitative Structure-Activity Relationship*
  • Small Molecule Libraries / chemistry*
  • Small Molecule Libraries / pharmacology
  • Thiazolidines / chemistry*
  • Thiazolidines / pharmacology

Substances

  • Antineoplastic Agents
  • Small Molecule Libraries
  • Thiazolidines