Dian Rachmawati and Mochammad Zakki Fahmi and Muhammad Ikhlas Abdjan and Eddy Bagus Wasito and Imam Siswanto and Nurzafirah Mazlan and Jazirotur Rohmah and Afaf Baktir (2022) In vitro assessment on designing novel antibiofilms of pseudomonas aeruginosa using a computational approach. Molecules, 27. pp. 1-17.
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Abstract
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.
| Item Type: | Article |
|---|---|
| Keyword: | Antibiofilm, P. aeruginosa, PMM/PGM, In Vitro, Computational approach |
| Subjects: | Q Science > Q Science (General) > Q1-390 Science (General) > Q1-295 General Q Science > QR Microbiology > QR1-502 Microbiology > QR100-130 Microbial ecology |
| Department: | INSTITUTE > Borneo Marine Research Institute |
| Depositing User: | SITI AZIZAH BINTI IDRIS - |
| Date Deposited: | 16 Dec 2024 11:26 |
| Last Modified: | 16 Dec 2024 11:26 |
| URI: | https://eprints.ums.edu.my/id/eprint/42259 |
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