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Molecular modeling studies to explore the binding affinity of virtually screened inhibitor toward different aminoglycoside kinases from diverse MDR strains
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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LINCS: A linear constraint solver for molecular simulations
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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Homology modeling and substrate binding study of human CYP4A11 enzyme
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Homology modeling and substrate binding study of human CYP2C9 enzyme
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Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method
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Crystal structure of Mycobacterium tuberculosis Rv3168: A putative aminoglycoside antibiotics resistance enzyme
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UniProt Protein Knowledgebase
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Structural analysis of membrane-bound hECE-1 dimer using molecular modeling techniques: insights into conformational changes and Aβ1–42 peptide binding
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VMD: Visual molecular dynamics
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A Small Molecule Discrimination Map of the Antibiotic Resistance Kinome
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Crystal structures of the ternary complex of APH(4)-Ia/Hph with hygromycin B and an ATP analog using a thermostable mutant
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The Crystal Structure of Aminoglycoside-3′-Phosphotransferase-IIa, an Enzyme Responsible for Antibiotic Resistance
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Structure of an Enzyme Required for Aminoglycoside Antibiotic Resistance Reveals Homology to Eukaryotic Protein Kinases
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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Bacterial resistance to aminoglycoside antibiotics
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Extensively drug-resistant tuberculosis
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Structural Analyses of Nucleotide Binding to an Aminoglycoside Phosphotransferase,
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Molecular Recognition of Protein Kinase Binding Pockets for Design of Potent and Selective Kinase Inhibitors
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Automated Docking Screens: A Feasibility Study
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inferredcites →https://doi.org/10.1042/bj20130317openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.1730376openalex-snapshot
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inferredcites →https://doi.org/10.1093/bioinformatics/btt055openalex-snapshot
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
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inferredcites →https://doi.org/10.1093/nar/gkp594openalex-snapshot
Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside–RNA hairpin loop interactions
inferredcites →https://doi.org/10.1093/protein/8.2.127openalex-snapshot
LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions
inferredcites →https://doi.org/10.1107/s1744309109050039openalex-snapshot
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inferredcites →https://doi.org/10.1111/j.1469-0691.2010.03214.xopenalex-snapshot
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inferredcites →https://doi.org/10.1111/j.1469-0691.2011.03570.xopenalex-snapshot
Multidrug-resistant, extensively drug-resistant and pandrug-resistant bacteria: an international expert proposal for interim standard definitions for acquired resistance
inferredcites →https://doi.org/10.1111/j.1574-6976.2011.00268.xopenalex-snapshot
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inferredcites →https://doi.org/10.1124/pr.110.002584openalex-snapshot
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inferredcites →https://doi.org/10.1128/aac.44.12.3249-3256.2000openalex-snapshot
Aminoglycosides: Perspectives on Mechanisms of Action and Resistance and Strategies to Counter Resistance
inferredcites →https://doi.org/10.1128/aac.45.5.1402-1406.2001openalex-snapshot
Multidrug-Resistant Urinary Tract Isolates of Escherichia coli: Prevalence and Patient Demographics in the United States in 2000
inferredcites →https://doi.org/10.1128/mmbr.57.1.138-163.1993openalex-snapshot
Molecular genetics of aminoglycoside resistance genes and familial relationships of the aminoglycoside-modifying enzymes
inferredcites →https://doi.org/10.1146/annurev.biochem.78.082907.145923openalex-snapshot
Multidrug Resistance in Bacteria
inferredcites →https://doi.org/10.1155/2014/541340openalex-snapshot
Multidrug Resistance: An Emerging Crisis
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Probing the Outer Mouth Structure of the hERG Channel with Peptide Toxin Footprinting and Molecular Modeling
inferredcites →https://doi.org/10.18093/0869-0189-2005-0-2-5-8openalex-snapshot
Drug resistance of Mycobacterium tuberculosis
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