Study of Antibacterial Activity and Energy of Formation of Peptide Ligand Complexes With Hybrid Antibiotics Vancomycin-Azithromycin and Eremomycin-Azithromycin

Abstract

Antibacterial activity of hybrid antibiotics vancomycin-azithromycin (C11, C12-carbonate) and eremomycin-azitromycin (C11, C12-carbonate) was evaluated. Quantum chemical calculations of complexes of hybrid antibiotics with a model tripeptide ligand a, ε-di-Ac-L-Lys-D-Ala-D-Ala by the semi empirical PM6 method provided data on geometrical parameters of complexes along with the energy of their formation and the influence of protonation of the NHCH3 group. A correlation between the energy of formation of antibiotics-ligand complexes and antibacterial activity of hybrid antibiotics against Gram-positive bacterial strains was found.

Keywords

• vancomycin
• eremomycin
• azithromycin
• hybrid antibiotics
• antibacterial activity
• antibiotic
• ligand complex
• quantum chemical calculations
• semi empirical method pm6