QSAR Studies, Molecular Docking, Molecular Dynamics, Synthesis, and Biological Evaluation of Novel Quinolinone-Based Thiosemicarbazones against .

In this study, a series of novel quinolinone-based thiosemicarbazones were designed in silico and their activities tested in vitro against (). Quantitative structure-activity relationship (QSAR) studies were performed using quinolinone and thiosemicarbazide as pharmacophoric nuclei; the best model showed statistical parameters of R = 0.83; F = 47.