Molecular Modeling of Enzymatic Degradation of Microbial Biofilm Exopolysaccharides

• Grant number: 24/19027-0
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: March 01, 2025
• End date: July 31, 2028
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Munir Salomao Skaf
• Grantee: Neidy Samara Sousa dos Santos
• Host Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated research grant: 13/08293-7 - CCES - Center for Computational Engineering and Sciences, AP.CEPID

Abstract

Bacterial resistance associated with biofilms is a growing concern for global public health. The rise of chronic antibiotic-resistant infections, particularly in medical devices and biological surfaces, poses a threat to healthcare systems. The protection provided by biofilms through a matrix of exopolysaccharides complicates conventional treatments and contributes to increased risks of persistent infections and high medical costs. If strategies to combat biofilm resistance remain limited to traditional methods, the effectiveness of controlling these infections will continue to be compromised. We propose a approach that employs computational simulations to investigate the degradation of bacterial biofilms through the action of carbohydrate-active enzymes (CAZymes). Through Molecular Modeling, we aim to better understand molecular interactions between CAZymes and specific biofilms, facilitating the development of more effective treatments. Detailed analysis of enzyme interactions with biofilm matrix substrates can lead to relevant advances, which benefit public health as well as the medical, food, and industrial sectors.