| Titre : | IN SILICO IDENTIFICATION OF POTENTIAL QUORUM SENSING INHIBITORS FOR HELICOBACTER PYLORI | | Type de document : | thèse | | Auteurs : | BAKRI Wissal, Auteur | | Année de publication : | 2021 | | Langues : | Anglais (eng) | | Mots-clés : | Quorum sensing quorum quenching multi-drug resistance molecular docking | | Résumé : | Over the last few years, bacteria have been proven to sense their population density and alter their phenotype depending on the surrounding environment. This phenomenon, termed quorum sensing, allows the bacteria to control virulence factors and biofilm formation. In this case, Helicobacter pylori is our focus of interest due to the rising number of therapeutic failures. Complete eradication of an H. pylori infection is quickly becoming unachievable. Resistance to antibiotics is largely due to biofilm formation, a mechanism in H. pylori controlled by QS (signal molecule- AI-2) and is considered a sensitive marker for quorum sensing bacterial communication.
In this project, a new solution for the attenuation of quorum sensing was explored, which involves the use of computer assisted drug design to identify potential quorum sensing inhibitors, as a replacement for antibiotics.
Out of the 300 compounds screened, 6 candidates were computationally identified as potential QSIs due to their high binding affinity towards the chemoreceptor TlpB and low toxicity. The best candidate, β-carotene, demonstrated the highest affinity (9.2 kcal/mol) and lowest toxicity towards TlpB. It was shown to inhibit the biofilm formation of H. pylori in previous studies. This compound could be used to either stop or decrease the communication between the bacteria and inhibit the development of the QS controlled traits. | | Numéro (Thèse ou Mémoire) : | MM0102021 | | Directeur : | AANIZ Tarik | | Juge : | OUADGHIRI Mouna | | Juge : | KANDOUSSI Ilham |
IN SILICO IDENTIFICATION OF POTENTIAL QUORUM SENSING INHIBITORS FOR HELICOBACTER PYLORI [thèse] / BAKRI Wissal, Auteur . - 2021. Langues : Anglais ( eng) | Mots-clés : | Quorum sensing quorum quenching multi-drug resistance molecular docking | | Résumé : | Over the last few years, bacteria have been proven to sense their population density and alter their phenotype depending on the surrounding environment. This phenomenon, termed quorum sensing, allows the bacteria to control virulence factors and biofilm formation. In this case, Helicobacter pylori is our focus of interest due to the rising number of therapeutic failures. Complete eradication of an H. pylori infection is quickly becoming unachievable. Resistance to antibiotics is largely due to biofilm formation, a mechanism in H. pylori controlled by QS (signal molecule- AI-2) and is considered a sensitive marker for quorum sensing bacterial communication.
In this project, a new solution for the attenuation of quorum sensing was explored, which involves the use of computer assisted drug design to identify potential quorum sensing inhibitors, as a replacement for antibiotics.
Out of the 300 compounds screened, 6 candidates were computationally identified as potential QSIs due to their high binding affinity towards the chemoreceptor TlpB and low toxicity. The best candidate, β-carotene, demonstrated the highest affinity (9.2 kcal/mol) and lowest toxicity towards TlpB. It was shown to inhibit the biofilm formation of H. pylori in previous studies. This compound could be used to either stop or decrease the communication between the bacteria and inhibit the development of the QS controlled traits. | | Numéro (Thèse ou Mémoire) : | MM0102021 | | Directeur : | AANIZ Tarik | | Juge : | OUADGHIRI Mouna | | Juge : | KANDOUSSI Ilham |
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