Molecular Docking and Screening Studies of New Natural Sortase A Inhibitors.

摘要: To date, multi-drug resistant bacteria represent an increasing health threat, with a high impact on mortality, morbidity, and costs global scale. The ability of to rapidly permanently acquire new virulence factors drug-resistance elements requires the development antimicrobial agents selection proper targets, such as sortase A. This specific bacterial target plays important role in many Gram-positive pathogens, its inhibition should produce mild evolutionary pressure which will not favor resistance. A primary screening using fluorescence resonance energy transfer assay was used experimentally evaluate inhibitory activity several compounds Using molecular docking structure-activity relationship analyses, lead inhibitors were identified, further tested for well diffusion test minimum concentration. toxicity assessed Daphnia magna future filter. Three natural identified this study promising candidates into therapeutically useful anti-infective that could be treat infections caused by pathogens include their enzymatic set.