A QSAR study on Pneumocystis carinii topoisomerases of bis-benzimidazoles

QSARs are presented for interactions between bis-benzimidazoles and DNA den aturation temperatures and topoisomerases I and II of Pneumocystis carinii. A Carbo charge and shape similarity index was able to disclose the interac tion mode for DNA and topoisomerase II. The global molecular dipole moment descriptor of molecules was found to be the one of importance for interacti ons with topoisomerase I. From results, it is feasible to assume that it is possible to design molecules that would interact with topo I, but not II. Results also show the possibility of selective recognition towards human to po I.