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   structure-based virtual screening: identification of novel quorum-sensing inhibitors to interfere with the formation of pseudomonas aeruginosa biofilm  
   
نویسنده jafari-sabet majid ,baratian ali
منبع journal of archives in military medicine - 2017 - دوره : 5 - شماره : 1 - صفحه:1 -6
چکیده    background: drug-resistant pseudomonas aeruginosa (p. aeruginosa) isamongthe most important opportunistichumanpathogens that may infect military personnel during war by generating a broad range of virulence factors, the expression rates of which are firmly arranged by cell density-dependent cell-to-cell signaling called quorum sensing (qs). objectives: this study aimed at identifying putative inhibitors of lasr by structure-based virtual screening on zinc database, testing prospective candidatesonpqse withcomputer aided inhibition studies followed by structure analysis, andexamining the extension of specific drugs with potential anti-virulence properties for the treatment of infections induced by drug-resistant p. aeruginosa. methods: structure-based virtual screening in zinc database was used through autodock vina in order to assess putative inhibitors of lasr. prospective candidates’ inhibitoryefficiencyonpqsewasexaminedbymeansof computeraided inhibition studies followed by structure analysis. results: twenty possible quorum sensing inhibitors were introduced that could be used in different conditions to inhibit quorum sensing and thus reduce bacterial resistance and pathogenicity. a software was also designed to provide graphical user interface to vina and to automate the process of virtual screening. conclusions: this study provided a perspective for development of specific drugs with potential anti virulence properties in military medicine for the treatment of infections induced by drug-resistant p. aeruginosa
کلیدواژه bacterial resistance ,biofilm ,quorum sensing ,virtual screening ,pseudomonas aeruginosa
آدرس iran university of medical sciences, school of medicine, department of pharmacology, iran, aja university of medical sciences, iran. mashhad university of medical sciences, school of pharmacy, department of medicinal chemistry, iran
 
 

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