AntiBac-Pred: A Web Application for Predicting Antibacterial Activity of Chemical Compounds

Discovery of new antibacterial agents
is a never-ending task of
medicinal chemistry. Every new drug brings significant improvement
to patients with bacterial infections, but prolonged usage of antibacterials
leads to the emergence of resistant strains. Therefore, novel active
structures with new modes of action are required. We describe a web
application called AntiBac-Pred aimed to help users in the rational
selection of the chemical compounds for experimental studies of antibacterial
activity. This application is developed using antibacterial activity
data available in ChEMBL and PASS software. It allows users to classify
chemical structures of interest into growth inhibitors or noninhibitors
of 353 different bacteria strains, including both resistant and nonresistant
ones.