Homology modeling, molecular dynamics, and virtual screening of NorA efflux pump inhibitors of Staphylococcus aureus - Bhaskar, Baki Vijaya; Babu, Tirumalasetty Muni Chandra; Reddy, Netala Vasudeava; Rajendra, Wudayagiri (Drug design, development and therapy, 2016)
Keywords: Acridine; Algorithms; Bacteria; Bacterial Proteins - chemistry; Bacterial Proteins - metabolism; Binding; Binding sites; Binding, Competitive; Carrier proteins; Ciprofloxacin; Clinical isolates; Computer simulation; Crystal structure; Docking; Domains; Drug Design; Drug discovery; Drug resistance; Efflux; Extrusion; Glycerol; Glycerol-3-phosphate; Health aspects; Helices; Homology; Hydrophobicity; Inhibitors; Lead; Levofloxacin; Lipid bilayers; Lipids; Molecular docking; Molecular Docking Simulation; Molecular Dynamics; Molecular Dynamics Simulation; Molecular structure; Multidrug Resistance-Associated Proteins - chemistry; Multidrug Resistance-Associated Proteins - metabolism; Nalidixic acid; NorA efflux pump; Omeprazole; Original Research; Pharmacology; Pharmacology, Experimental; Phenothiazine; Phosphate transporter; Proteins; Reserpine; Reserpine - analogs & derivatives; Reserpine - chemistry; Reserpine - metabolism; Risk assessment; Screening; Software; Staphylococcus aureus; Structural design; Structural engineering; Structure; Substrates; Thioxanthene; Toxicity; Verapamil; Virtual Screening; docking; virtual screening; molecular dynamics; NorA efflux pump; Staphylococcus aureus