In-Silico Studies toward the Improvement of the Antibacterial Activity of Pristinamycin IIB

Pristinamycin IIB (PIIB) is a potent antibiotic with limited use, due to some structural problems and also due to the bacterial resistance exhibited toward the antibiotic. A thorough study led to the design of novel analogues of PIIB, based on the introduction of a difluorostatone moiety. Herein, we describe the initial in silico studies toward these novel analogues using ADMET modeling of predictive models in order to compute the physicochemistry and estimate the pharmacokinetics, drug-likeness and medicinal chemistry friendliness of these newly designed analogues.