Tuberculosis (TB), caused by the bacterium Mycobacterium tuberculosis, remains a major global health challenge, especially with the rise of multidrug-resistant (MDR-TB) and extensively drug-resistant (XDR-TB) strains. To address this, Ria has been looking for new marine natural products with unique mechanisms of action. This study focuses on deep-sea marine compounds as potential inhibitors of a key enzyme in TB survival, called Rv1155.

Using advanced computer-based methods, Ria and her colleagues screened 2,773 marine-derived compounds from various chemical databases. She identified 68 compounds with strong potential to bind to Rv1155, narrowing the list down to three promising candidates: Upenamide, Aspyronol, and Fiscpropionate F. Among these, Upenamide showed the strongest and most stable binding to the enzyme, while Aspyronol demonstrated excellent drug-like properties.

This study highlights the potential of deep-sea metabolites as a source of new TB treatments and provides a cost-effective framework for further research. These findings could pave the way for experimental validation and the development of novel drugs targeting drug-resistant TB.

Desai, R.; Alaroud, A.A.; Preet, G.; Astakala, R.V.; Ebel, R.; Jaspars, M. Deep-Sea Marine Metabolites as Promising Anti-Tubercular Agents: CADD-Guided Targeting of the F420-Dependent Oxidoreductase. Mar. Drugs 2026, 24, 58. https://doi.org/10.3390/md24020058