Coll, J.

Computational explorations are described generating small peptide and acetic-polymer evolutecas targeting one of the virulence regulons of Listeria monocitogenes (Lm). Lm are among the most important multiple-resistant food-borne infective bacteria whose antibiotic resistances raise worldwide concerns. The glutathion cavity of the Lm positive regulatory factor A (prfA) virulence regulon, was computationally targeted here because of the importance of the glutathion tri-peptide-dependent prfA activation of many virulent Lm genes. Computationally screening of alternative tri-,tetra-, and penta-mer peptides and innovative-acetic polymers and evolutecas generated from the top-screened molecules, were employed to optimize their fitting to glutathion-prfA cavities. Combining library-screening and children generation by co-evolution, several novel top-peptides and acetic-derived polymers were generated predicting low-toxicities (to reduce any known undesirable side-effects) and low nanoMolar consensus affinities (to maximize their specificities and accuracies). However, their possible inhibition of prfA virulence remains to be demonstrated. To continue these explorations, additional chemical synthesis and in vitro experimental validation, are strictly required to demonstrate any desirable interference with Lm virulence and/or biological functions.