Conception d’antibiotiques actifs sur e.coli par criblage virtuel

Abstract

arious antibiotics have been developed against the pathogenic activity of Escherichia coli, but resistance to these drugs makes it an advantageous task to discover compounds with higher antibacterial activity. This work presents a new approach to the design of new antibiotics, a strategy called “virtual screening” to identify the most potent inhibitors against bacterial DNA gyrase. 186 compounds were screened using a virtual screening program (MVD) by defining nalidixic acid, moxifloxacin and novobiocin as reference ligands This study allowed us to identify 10 compounds that could be potential inhibitors of DNA gyrase. These compounds were ultimately filtered by adherence to the Lipinski’s rule of five and only 8 achieved comparatively better results. These results can be used to develop new antibiotics against Escherichia coli infections with better efficacy