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Density functional theory calculation of lipophilicity for organophosphate type pesticides [PDF]
Journal of the Serbian Chemical Society, 2017 Density functional method with continuum solvation model is used for calculation of partition coefficient logKOW and determination of lipophilicity of 22 most frequently used organophosphate type pesticides. Excellent agreement with experimental
Vlahović Filip +3 more
doaj +5 more sources
PharmaceuticalsLipophilicity is one of the principal parameters that describe the pharmacokinetic behavior of a drug, including its absorption, distribution, metabolism, elimination, and toxicity.
Małgorzata Jelen +2 more
exaly +4 more sources
Lipophilicity as a Central Component of Drug-Like Properties of Chalchones and Flavonoid Derivatives
Molecules, 2019 Lipophilcity is an important physico-chemical parameter that influences membrane transport and binding ability to action. Migration distance following complete elution of compounds was used to calculate different lipophilicity-related parameters. The aim
Claudiu N Lungu +2 more
exaly +4 more sources
Molecules, 2017 In this study, we tested eight naturally-occurring flavonoids—three flavanones and five flavones—for their possible antibacterial properties against four Gram-positive and four Gram-negative bacteria.
Javier Echeverría +2 more
exaly +4 more sources
Lipophilicity and ADMET Analysis of Quinoline-1,4-quinone Hybrids
Pharmaceutics, 2022 Lipophilicity is one of the basic properties of a potential drug determining its solubility in non-polar solvents and, consequently, its ability to passively penetrate the cell membrane, as well as the occurrence of various pharmacokinetic processes ...
Monika Kadela-Tomanek +3 more
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Examination of lipophilicity and toxicity of azo dyes derivatives
Zaštita Materijala, 2017 Azo dyes, in addition to showing a wide range of applications in various industries, after releasing into aquatic ecosystems can act as pollutants. The first step in the prediction of possible toxic effects of compounds in the environment includes the ...
Suzana Apostolov +3 more
doaj +2 more sources
Lipophilicity and Its Relationship with Passive Drug Permeation
Pharmaceutical Research, 2010 In this review, we first summarize the structure and properties of biological membranes and the routes of passive drug transfer through physiological barriers.
Xiangli Liu +2 more
exaly +2 more sources
Comparative chemometric analysis, ranking and selection of lipophilicity parameters of 6-chloro-1,3,5-triazine derivatives with acyclic and cyclic substituents [PDF]
Acta Periodica Technologica, 2022 In the present paper, the chemometric analysis, ranking and selection of the most suitable in silico lipophilicity parameters of eight alkyl and cycloalkyl s-triazine derivatives were carried out.
Salaković Benjamin +5 more
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Molecules, 2022 This study aimed to evaluate the lipophilicity of a series substances lowering the concentration of uric acid in blood and anti-androgen drugs by thin-layer chromatography in reversed-phase systems (RP-TLC, RP-HPTLC) and computational methods.
Dawid Wardecki +3 more
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, 2021 The replacement of oxygenated functionality (hydroxy, alkoxy) with a fluorine atom is a very commonly used bioisosteric replacement in medicinal chemistry.
Richard J., Glyn, Graham, Pattison
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