The current status of quantitative structure-activity relationships (QSARs) in predicting toxicity is assessed. Widespread use of these methods to predict toxicity from chemical structure is possible, both by industry to develop new compounds, and also by regulatory agencies. The current use of QSARs is restricted by the lack of suitable toxicity data available for modelling, the suitability of...

Malaria is a parasitic disease with limited chemotherapy options. Chemotherapy options are limited; moreover, drug resistant frequently occurs. The speed of drug development should be faster to overcome the emerging drug resistance. In the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship to identify the ideal physicochemical charact...

objective(s): recently we reported that the soybean 15-lipoxygenase (slo) inhibitory activity of pyrimido[4,5-b][l,4]benzothiazines largely depends on the orientation of sulfur atom of thiazine core towards feiii-oh in the active site pocket of the enzyme with subsequent oxidation of sulfur to sulfoxide. in this paper the results of a comparative study on the slo inhibitory activities of the me...

Malaria is a parasitic disease with limited chemotherapy options. Chemotherapy options are limited; moreover, drug resistant frequently occurs. The speed of drug development should be faster to overcome the emerging drug resistance. In the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship to identify the ideal physicochemical charact...