Plant Antimicrobials

Our research aims to

1. Characterize the anti-microbiological properties of plant-derived compounds from novel sources, including valorization of agrifood byproducts.

   Plant-derived compounds, ranging from small secondary metabolites to antimicrobial peptides, have demonstrated robust effectiveness as antimicrobials against bacteria (both cells and spores), fungi and viruses. To develop effective antimicrobial strategies, we first characterize the chemical structure and diverse antimicrobial functionalities of these compounds (e.g. inhibition of key proteins, bacterial membrane disruption, efflux pump inhibition, oxidative stress induction). Quantifying their potency under application-relevant conditions and mapping their spectrum of activity are essential aspects of this research. 

2. Model and predict their structure-activity relationships by integrating chemical composition analyses with bioactivity screening.

   The efficacy of plant antimicrobials is strongly linked to their chemical structure. Rather subtle structural variations can drastically alter potency. We use Quantitative Structure-Activity Relationship (QSAR) modelling as a chemoinformatic tool to enable (i) predictive assessment for the efficient discovery and purification of novel antimicrobials; (ii) accelerated optimization of lead antimicrobial scaffolds; and (iii) deeper insights into the precise molecular properties critical for activity. A balanced approach combining in-vitro screening with predictive assessment is key to effectively guide this research.

3. Elucidate their modes of action to develop synergistic, plant-based antimicrobial strategies.

   To apply plant-derived antimicrobials (including synergistic mixtures) in areas such as food, feed, or crop protection, their molecular mechanisms and safety should be well-defined and validated. Through close collaboration with fundamental research groups, we achieve a comprehensive understanding of how these plant antimicrobials interact with microbial targets.

At Plant Antimicrobials we integrate in-vitro experimental characterization with in-silico modelling to rationalize and predict the properties and mode of action of plant-derived antimicrobials,such as:

• Compositional analyses and purification of plant-derived antimicrobials by liquid chromatography and mass spectrometry (LC-MS) techniques.
• Prediction of antimicrobial activity by QSAR modelling.
• Antimicrobial potency and mode of action through whole-cell based assays, fluorescence-based microscopy and spectroscopy, and -omic approaches.
• Rationalization of mechanisms by in-silico molecular modelling, including pharmacophore modelling, molecular docking and dynamic simulations.