Integrated In Silico - In Vitro Study Investigating Dipeptides as Chorismate Synthase Modulators: Spotlight on Its...

Area of Science:

• Microbiology
• Biochemistry
• Food Safety

Background:

• Campylobacter jejuni is a significant foodborne pathogen causing campylobacteriosis.
• Chorismate synthase, crucial for bacteria but absent in animals, is a potential antimicrobial target.

Purpose of the Study:

• To investigate peptide modulation of C. jejuni chorismate synthase.
• To identify novel peptide-based modulators for controlling bacterial growth.

Main Methods:

• In silico screening of 400 dipeptides using docking and molecular dynamics simulations.
• In vitro validation of identified peptide modulators.
• Computational investigation of underlying mechanisms.

Main Results:

• The dipeptide glutamate-aspartate (ED) was identified as a potential inhibitor in silico.
• In vitro experiments revealed ED as an enhancer of C. jejuni chorismate synthase activity.
• ED's matrix-dependent effects on enzyme function were computationally explored.

Conclusions:

• Peptide-based modulators, like ED, offer new avenues for controlling C. jejuni growth.
• Understanding enzyme modulation can improve food safety and hygiene practices.
• This study opens possibilities for designing food-grade peptide-based antimicrobials.