In vitro assessment on designing novel antibiofilms of pseudomonas aeruginosa using a computational approach

• Main Authors: Dian Rachmawati, Mochammad Zakki Fahmi, Muhammad Ikhlas Abdjan, Eddy Bagus Wasito, Imam Siswanto, Nurzafirah Mazlan, Jazirotur Rohmah, Afaf Baktir
• Format: Article
• Language: English; English
• Published: Molecular Diversity Preservation International 2022
• Subjects: Q1-295 General; QR100-130 Microbial ecology
• Online Access: https://eprints.ums.edu.my/id/eprint/42259/1/ABSTRACT.pdf; https://eprints.ums.edu.my/id/eprint/42259/2/FULL%20TEXT.pdf; https://eprints.ums.edu.my/id/eprint/42259/; https://doi.org/10.3390/molecules27248935
• Institution: Universiti Malaysia Sabah

An anti-biofilm that can inhibit the matrix of biofilm formation is necessary to prevent recurrent and chronic Pseudomonas aeruginosa infection. This study aimed to design compounds with a new mechanism through competitive inhibitory activity against phosphomannomutase/phosphoglucomutase (PMM/PGM), using in vitro assessment and a computational (in silico) approach. The active site of PMM/PGM was assessed through molecular redocking using L-tartaric acid as the native ligand and other small molecules, such as glucaric acid, D-sorbitol, and ascorbic acid. The docking program set the small molecules to the active site, showing a stable complex formation. Analysis of structural similarity, bioavailability, absorption, distribution, metabolism, excretion, and toxicity properties proved the potential application of ligands as an anti-biofilm. In vitro assessment with crystal violet showed that the ligands could reach up to 95.87% inhibition at different concentrations. The nitrocellulose membrane and scanning electron microscopic visualization showed that the untreated P. aeruginosa biofilm was denser than the ligand-treated biofilm.