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

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en)
Title	Virtual screening and in silico design of novel inhibitors of bacterial lectins Virtual screening and in silico design of novel inhibitors of bacterial lectins (en)
skos:prefLabel	Virtual screening and in silico design of novel inhibitors of bacterial lectins Virtual screening and in silico design of novel inhibitors of bacterial lectins (en)
skos:notation	RIV/00216224:14740/11:00050027!RIV12-GA0-14740___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA303/09/1168), P(GD301/09/H004), P(LC06030), P(ME08008), Z(MSM0021622413)
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Kulhánek, Petr Koča, Jaroslav Alán, Jan
http://linked.open.../riv/druhVysledku	O - Ostatní výsledky nezařaditelné do žádného z výše uvedených druhů výsledku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Středoevropský technologický institut
http://linked.open...dnocenehoVysledku	238499
http://linked.open...ai/riv/idVysledku	RIV/00216224:14740/11:00050027
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	lectins; virtual screening (en)
http://linked.open.../riv/klicoveSlovo	lectins virtual screening
http://linked.open...ontrolniKodProRIV	[5DD52B9BD1A0]
http://linked.open...in/vavai/riv/obor	CE
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Lectins from human pathogens - structure, function, engineering Molecular and structural biology of selected antitumor drugs. From mechanistic studies to chemotherapy of tumors Biomolecular centre Design of Carbohydrates and Glycomimetics as Antibacterial and Antiviral Drugs
http://linked.open...UplatneniVysledku	2011
http://linked.open...iv/tvurceVysledku	Koča, Jaroslav Kulhánek, Petr Alán, Jan
http://linked.open...n/vavai/riv/zamer	Proteiny v metabolismu a při interakci organismů s prostředím
http://localhost/t...ganizacniJednotka	14740

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