A computational workflow to determine drug candidates alternative to aminoglycosides targeting the decoding center of E. coli ribosome

Keyphrases

• Drug Candidates 100%
• Decoding Center 100%
• Computational Workflow 100%
• Aminoglycosides 100%
• E. Coli Ribosome 100%
• Effective Approach 66%
• Molecular Dynamics Simulation 66%
• Fast Approach 66%
• Binding Energy 33%
• Filter Method 33%
• In Vitro Study 33%
• Molecular Docking 33%
• Gliding 33%
• Novel Inhibitors 33%
• Clinical Application 33%
• High Affinity 33%
• Molecular Docking Calculations 33%
• Binding Site 33%
• AutoDock Vina 33%
• Bacterial Infection 33%
• Large Proteins 33%
• Small Subunit 33%
• Ribosome Structure 33%
• Ribosomal RNA 33%
• Antibiotic Resistance 33%
• Protein-ligand Complex 33%
• RNA-protein Complex 33%
• FDA-approved Drugs 33%
• Molecular Mechanics Generalized Born Surface Area (MM-GBSA) 33%
• Hit Compound 33%

Biochemistry, Genetics and Molecular Biology

• Escherichia coli 100%
• Aminoglycoside 100%
• 30S 100%
• Docking (Molecular) 66%
• Computer Simulation 66%
• In Vitro Study 33%
• Binding Site 33%
• AutoDock 33%
• Antibiotic Resistance 33%
• Ribosomal RNA 33%

Pharmacology, Toxicology and Pharmaceutical Science

• Escherichia coli 100%
• Aminoglycoside 100%
• Binding Site 50%
• Bacterial Infection 50%
• Ribosome RNA 50%
• Aminoglycoside Derivative 50%
• Antibiotic Resistance 50%