Computational Approaches to the Design of New Antimicrobials

Dear Colleagues,

Antibiotic-resistant bacteria are a major cause of mortality and morbidity and the main threat in hospital and community acquired infections. Among the ways to address antibiotic resistance, the use of computer-designed new drugs and therapies appears to be the most innovative. The application of computational techniques in the field of medicinal chemistry has been validated by numerous recent successes. In microbiology, the availability of crystallographic structures of many pharmacologically relevant proteins makes the use of in silico simulations, an increasingly powerful methodology to fight multidrug resistant bacteria.

This is a multidisciplinary perspective that includes approaches from computational biology, chemistry and biophysics. The opportunity to capture all these views together in a Special Issue of the International Journal of Molecular Sciences seems particularly interesting to me. We wish to demonstrate the enormous potential of computation and virtual simulation for solving the problem of bacterial resistance.

Dr. Paulino Gómez-Puertas
Guest Editor

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