Novel antimicrobial peptide HFIAP-1 mutant as a β-lactamase inhibitor against extended-spectrum β-lactamases of Escherichia coli: a comprehensive in-silico approach
Erik George, Aniket Naha, Sudha Ramaiah
Topics & Concepts
Escherichia coliChemistryAntimicrobialPeptideDocking (animal)MutantMolecular dynamicsBiochemistryComputational biologyResidue (chemistry)Binding siteMolecular modelProtein–protein interactionCombinatorial chemistryHydrogen bondPlasma protein bindingAntibioticsStereochemistryVirtual screeningvan der Waals forceBiologyInteraction energyAntimicrobial peptidesBiophysicsMolecular mechanicsSalt bridgeProtein structureIntermolecular forceBacteriaHydrophobic effectEnzymeStructure–activity relationshipIn silicoProtein secondary structureMolecular recognitionAlanine scanningAntibiotic Resistance in BacteriaAntimicrobial Peptides and ActivitiesProbiotics and Fermented Foods