DL: Digital discovery of antimicrobial molecules from marine Arctic resources with reduced risk of triggering resistance

Antimicrobial resistance currently causes around 700,000 deaths annually, with an estimated increase of 10 million over the next 30 years. Continuous development of antimicrobial compounds with new modes of action is important to reduce the risk of antimicrobial resistance. To help meet this challenge, DigiBiotics has studied both compounds from marine arctic natural products and molecules identified through genome searches. In addition, DigiBiotics has produced synthetic molecules inspired by marine natural products, and has developed a number of new experimental and computational methods to determine the molecules' structure and dynamics, both in solution and when the molecules act on bacteria. This has given us new and important knowledge about detailed individual steps in the mechanism of action. The most important contribution DigiBiotics has made to the field is the development of new methods to be able to calculate and study the interaction between medium-sized molecules and fluid membranes. These methods are linked together in a fully hybrid digital and experimental workflow that has application potential far beyond membrane-active peptides. Our goal is that the new molecules and working methods that DigiBiotics has developed should contribute to us getting new and better antibiotics.

In addition to to the reported publication record, we anticipate a strong publication record with results originating from DigiBiotics in the year(s) to come. In addition to the scientific output (in publications and a patent), the production of PhD-candidates and postdoctoral fellows has been a success. Many of the Digibiotics students and employees has secured jobs in industry as well as national and international academia. There is one invention from DigiBiotics that is under commercialization.

Antimicrobial resistance is currently causing around 700 000 deaths annually, with an estimated rise to 10 million over the next 30 years. Continuous development of antimicrobial compounds with new modes of action is essential to reduce the risk posed by antimicrobial resistance. To contribute to meeting this challenge, DigiBiotics will explore new compounds inspired by marine Arctic natural products and develop novel experimental and computational methods for determining molecular structure and dynamics. This will allow for a better understanding of peptide-membrane interactions and provide an atomic basis for the development of new drug targets. Promising compounds will be refined to compounds acceptable for industrial drug development.