Publication details

Virtual screening and in silico design of novel inhibitors of bacterial lectins

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Year of publication 2011
Type Conference abstract
MU Faculty or unit

Central European Institute of Technology

Description Bacterium Pseudomonas aeruginosa is a human opportunistic pathogen. It can cause infection of immunocompromised people or people suffering from cystic fibrosis, which is often fatal. Bacterial colonization of human tissues is mediated by interaction of bacterial surface proteins – lectins – with cellular surface carbohydrates. PA-IIL is Pseudomonas aeruginosa tetrameric lectin, which contains two calcium ions in each binding site and recognizes fucosylated oligosaccharides1. Saturation of bacterial surface lectins by specially designed compounds might prevent adhesion to host tissues and thus suppress the infection. In this work, virtual screening and docking were used for identification of compounds that might inhibit this interaction and be potentially used as a new generation of antibiotics.
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