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Toward a Class-Independent Quantitative Structure−Activity Relationship Model for Uncouplers of Oxidative Phosphorylation
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Chemical Speciation of Organics and of Metals at Biological Interphases
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STRUCTURE–ACTIVITY RELATIONSHIPS FOR CHLORO- AND NITROPHENOL TOXICITY IN THE POLLEN TUBE GROWTH TEST
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A NEW METHOD FOR SIMULTANEOUS QUANTIFICATION OF UNCOUPLING AND INHIBITORY ACTIVITY OF ORGANIC POLLUTANTS IN ENERGY-TRANSDUCING MEMBRANES
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Transport across 1,9-decadiene precisely mimics the chemical selectivity of the barrier domain in egg lecithin bilayers
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A Novel Method for Measuring Membrane-Water Partition Coefficients of Hydrophobic Organic Chemicals: Comparison with 1-Octanol–Water Partitioning
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Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients
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A Rigorous Test for SPARC's Chemical Reactivity Models: Estimation of More Than 4300 Ionization pKas
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Distribution of hydrophobic ionizable xenobiotics between water and lipid membranes: Pentachlorophenol and pentachlorophenate. A comparison with octanol-water partition
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The relationship between permeant size and permeability in lipid bilayer membranes
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Proton transport through membranes induced by weak acids: A study of two substituted benzimidazoles
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The kinetic mechanism by which CCCP (carbonyl cyanidem-Chlorophenylhydrazone) transports protons across membranes
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How do protons cross the membrane-solution interface? Kinetic studies on bilayer membranes exposed to the protonophore S-13 (5-chloro-3-tert-butyl-2′-chloro-4′ nitrosalicylanilide)
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Interpretation of nonelectrolyte partition coefficients between dimyristoyl lecithin and water
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The kinetic mechanism of action of an uncoupler of oxidative phosphorylation
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Mechanistic studies on baseline toxicity and uncoupling of organic compounds as a basis for modeling effective membrane concentrations in aquatic organisms
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Weak-acid uncouplers of oxidative phosphorylation. Mechanism of action on thin lipid membranes
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Structural requirements of salicylanilides for uncoupling activity in mitochondria: Quantitative analysis of structure-uncoupling relationships
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Quantitative analyses of the uncoupling activity of substituted phenols with mitochondria from flight muscles of house flies
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Quantitative analysis of uncoupling activity of substituted phenols with a physicochemical substituent and molecular parameters
inferredcites →https://doi.org/10.1016/0005-2728(93)90065-nopenalex-snapshot
AHA− heterodimer of a class-2 uncoupler: pentachlorophenol
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Transport kinetics of hydrophobic ions in lipid bilayer membranes Charge-pulse relaxation studies
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Electronic structure calculations on workstation computers: The program system turbomole
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Auxiliary basis sets to approximate Coulomb potentials
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Auxiliary basis sets to approximate Coulomb potentials (Chem. Phys. Letters 240 (1995) 283-290)
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Uncoupling activity and physicochemical properties of derivatives of fluazinam
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Micropolarities of lipid bilayers and micelles
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THE UNIQUE ABILITY OF PICRATE TO UNCOUPLE SUBMITOCHONDRIAL PARTICLES BUT NOT MITOCHONDRIA IS CONSISTENT WITH THE CHEMIOSMOTIC HYPOTHESIS
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Uncoupling activity of a newly developed fungicide, fluazinam [3-chloro-N-(3-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine]
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Quantitative analysis with physicochemical substituent and molecular parameters of uncoupling activity of substituted diarylamines
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The molecular mechanism of action of the proton ionophore FCCP (carbonylcyanide p-trifluoromethoxyphenylhydrazone)
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Molecular distributions in interphases: statistical mechanical theory combined with molecular dynamics simulation of a model lipid bilayer
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Quantitative structure—activity relationships for the toxicity of chlorophenols to mammalian submitochondrial particles
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COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids
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Partition behaviour of acids and bases in a phosphatidylcholine liposome–buffer equilibrium dialysis system
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The QSAR of Insecticidal Uncouplers
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Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
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Evaluation of Liposome−Water Partitioning of Organic Acids and Bases. 1. Development of a Sorption Model
inferredcites →https://doi.org/10.1021/es010069mopenalex-snapshot
Interaction of Phenolic Uncouplers in Binary Mixtures: Concentration-Additive and Synergistic Effects
inferredcites →https://doi.org/10.1021/es015844copenalex-snapshot
Baseline Toxicity (Narcosis) of Organic Chemicals Determined by In Vitro Membrane Potential Measurements in Energy-Transducing Membranes
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Comparative Ecotoxicological Hazard Assessment of Beta-Blockers and Their Human Metabolites Using a Mode-of-Action-Based Test Battery and a QSAR Approach
inferredcites →https://doi.org/10.1021/es9503084openalex-snapshot
Partitioning of Substituted Phenols in Liposome−Water, Biomembrane−Water, and Octanol−Water Systems
inferredcites →https://doi.org/10.1021/es960153fopenalex-snapshot
Uptake, Speciation, and Uncoupling Activity of Substituted Phenols in Energy Transducing Membranes
inferredcites →https://doi.org/10.1021/es980545hopenalex-snapshot
Kinetic Model To Describe the Intrinsic Uncoupling Activity of Substituted Phenols in Energy Transducing Membranes
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Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
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Micropolarities of lipid bilayers and micelles. 3. Effect of monovalent ions on the dielectric constant of the water-membrane interface of unilamellar phosphatidylcholine vesicles
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The Role of Substituents in the Hydrophobic Bonding of Phenols by Serum and Mitochondrial Proteins
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Structure-activity relations of three groups of uncouplers of oxidative phosphorylation. Salicylanilides, 2-trifluoromethylbenzimidazoles, and phenols
inferredcites →https://doi.org/10.1021/jp034688oopenalex-snapshot
First Principles Calculations of Aqueous pKaValues for Organic and Inorganic Acids Using COSMO−RS Reveal an Inconsistency in the Slope of the pKaScale
inferredcites →https://doi.org/10.1021/jp035260sopenalex-snapshot
Permeation of Small Molecules through a Lipid Bilayer: A Computer Simulation Study
inferredcites →https://doi.org/10.1021/jp980017sopenalex-snapshot
Refinement and Parametrization of COSMO-RS
inferredcites →https://doi.org/10.1021/tx050166jopenalex-snapshot
A Quantitative Structure−Activity Relationship Model for the Intrinsic Activity of Uncouplers of Oxidative Phosphorylation
inferredcites →https://doi.org/10.1021/tx970109topenalex-snapshot
Solid Phase Microextraction as a Tool To Determine Membrane/Water Partition Coefficients and Bioavailable Concentrations in in Vitro Systems
inferredcites →https://doi.org/10.1023/a:1011954332221openalex-snapshot
pH-Metric logP 10. Determination of Liposomal Membrane-Water Partition Coefficients of lonizable Drugs
inferredcites →https://doi.org/10.1038/191144a0openalex-snapshot
Coupling of Phosphorylation to Electron and Hydrogen Transfer by a Chemi-Osmotic type of Mechanism
inferredcites →https://doi.org/10.1042/bj1020564openalex-snapshot
Properties of substituted 2-trifluoromethylbenzimidazoles as uncouplers of oxidative phosphorylation
inferredcites →https://doi.org/10.1063/1.1826056openalex-snapshot
Atomistic simulations of biologically realistic transmembrane potential gradients
inferredcites →https://doi.org/10.1073/pnas.71.2.288openalex-snapshot
Trinitrophenol: A Membrane-Impermeable Uncoupler of Oxidative Phosphorylation
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physrevb.33.8822openalex-snapshot
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
inferredcites →https://doi.org/10.1146/annurev.pharmtox.40.1.353openalex-snapshot
Mitochondrial Targets of Drug Toxicity
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Transport of protons across membranes by weak acids.
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Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships
inferredcites →https://doi.org/10.1289/ehp.9087213openalex-snapshot
Uncouplers of Oxidative Phosphorylation
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Zur Hemmung photosynxthetischer Reaktionen in isolierten Chloroplasten durch Herbizide des Benzimidazol-Typs und deren Struktur-Aktivitäts-Beziehung unter Berücksichtigung des Verteilungskoeffizienten und des pKA-Wertes
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Lipid Bilayer Pressure Profiles and Mechanosensitive Channel Gating
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Water solubility and partitioning behavior of brominated phenols
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Can highly hydrophobic organic substances cause aquatic baseline toxicity and can they contribute to mixture toxicity?
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Calcium transport in vesicles energized by cytochrome oxidase
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Physicochemical Profiling (Solubility, Permeability and Charge State)
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Encyclopedia of computational chemistry
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Dissociation constants of some substituted nitrophenols in aqueous solution at 25 C
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Machine Learning-Based QSAR Models and Structural Alerts for Prediction of Mitochondrial Dysfunction
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Alkyl-substituted phenylamino derivatives of 7-nitrobenz-2-oxa-1,3-diazole as uncouplers of oxidative phosphorylation and antibacterial agents: involvement of membrane proteins in the uncoupling action
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Protonophoric action of triclosan causes calcium efflux from mitochondria, plasma membrane depolarization and bursts of miniature end-plate potentials
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The Effect of Polyphenols on Kidney Disease: Targeting Mitochondria
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