Physicochemical and Structural Parameters Contributing to the Antibacterial Activity and Efflux Susceptibility of Small-Molecule Inhibitors of Escherichia coli
Sara S. El Zahed, Shawn French, Maya A. Farha, Garima Kumar, Eric D. Brown
Abstract
Discovering new Gram-negative antibiotics has been a challenge for decades. This has been largely attributed to a limited understanding of the molecular descriptors governing Gram-negative permeation and efflux evasion.
Topics & Concepts
EffluxIn silicoEscherichia coliChemistrySmall moleculeBiologyComputational biologyBiochemistryBiophysicsGeneAntibiotic Resistance in BacteriaComputational Drug Discovery MethodsAntimicrobial Peptides and Activities