Virtual Screening For Quorum Sensing Inhibitors In Pseudomonas Aeruginosa

Objective To investigate the quorum sensing inhibitory factor for Pseudomonas aeruginosa using virtual screening.Methods 1 to obtain the las R protein from the PDB site on the three-dimensional structure of documents,screening of natural products by resistance evaluation,using computer molecular docking means virtual screening based on the screening of compounds with activity of Las R protein from the ZINC database,and the higher the score of compounds binding site prediction.2 clinical specimens were isolated and cultured,and the clinical isolates of resistant Pseudomonas aeruginosa were obtained by identification of pathogens.3 the purchase of selected compounds on quality control strains of Pseudomonas aeruginosa and clinical isolates to culture time as abscissa,with 600 nm absorbance as ordinate,the growth curves of Pseudomonas aeruginosa in different concentrations of compounds under the action of the screening effect of compound growth of Pseudomonas aeruginosa,and select the appropriate concentration study on the activity of late,to ensure the identification experiment,are carried out without affecting the growth of bacteria within the concentration range.4 real-time fluorescence quantitative PCR was used to investigate the expression of quorum sensing related genes in Pseudomonas aeruginosa,quality control strains and clinical isolates before and after target compounds were added.5 the influence of target compounds on Pseudomonas aeruginosa,quality control strains and clinical isolates,elastase,biofilm formation,and Swarming dynamics.Results 1 to obtain the las R protein from the PDB site on the three-dimensional structure of documents,screening of natural products by resistance evaluation,using computer molecular docking means virtual screening based on the screening of compounds with activity of Las R protein from the ZINC database,and the higher the score of compounds binding site prediction.2 clinical specimens were isolated and cultured,and the clinical isolates of resistant Pseudomonas aeruginosa were obtained by identification of pathogens.3,the purchase of selected compounds on quality control strains of Pseudomonas aeruginosa and clinical isolates to culture time as abscissa,with 600 nm absorbance as ordinate,the growth curves of Pseudomonas aeruginosa in different concentrations of compounds under the action of the screening effect of compound growth of Pseudomonas aeruginosa,and select the appropriate concentration study on the activity of late,to ensure the identification experiment,are carried out without affecting the growth of bacteria within the concentration range.4 real-time fluorescence quantitative PCR was used to investigate the expression of quorum sensing related genes in Pseudomonas aeruginosa,quality control strains and clinical isolates before and after target compounds were added.5 the influence of target compounds on Pseudomonas aeruginosa,quality control strains and clinical isolates,elastase,biofilm formation,and Swarming dynamics.Conclusions 1 1 virtual screening techniques used in quorum sensing inhibitors compared to other high-throughput screening methods,greatly reducing the workload and cost savings,can be based on the structures of target proteins for millions of large-scale screening and high hit rate,is expected to be found signs of compounds with strong binding force of target protein.2 virtual screening of the resulting compounds requires further studies to determine the direction of the action.The quorum sensing system of Pseudomonas aeruginosa is a very complex network system,the same compounds under different Pseudomonas aeruginosa strains showed different significance.