aMedicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226 001, India
bRega Institute for Medical Research, Katholieke Universiteit Leuven, 10 Minderbroedersstraat, B-3000, Leuven, Belgium
Abstract:
A series of 4-thiazolidinones were evaluated as selective inhibitors of the HIV-RT enzyme. Our attempt in correlating the derived physicochemical properties with the HIV-RT inhibitory activity resulted in some statistically significant QSAR models with good predictive ability. The QSAR studies indicated the role of lipophilicity, dipole moment and out-of-plane potential energy of the compounds in rationalizing the activity. One of the compounds, 1, inhibited the enzyme at 0.204 μM concentration with minimal toxicity to MT-4 cells.