Search results for "combinatorial"

showing 10 items of 1208 documents

Application of Molecular Topology to the Prediction of the Reaction Yield and Anticancer Activity of Imidazole and Guanidine Derivatives

2013

In this study molecular topology based QSAR has been applied to predict the reaction yield and anticancer activity of 18 imidazole and guanidine derivatives. Four properties were evaluated, namely reaction yield, anti prostatic-cancer activity, anti breast-cancer activity and anti lung-cancer activity. The four models have been validated by both internal and cross validation, and also by randomness tests. The results obtained are in full agreement with the experimental results and confirm the precision, accuracy and robustness of the method followed. After carrying out a virtual screening upon such models, new imidazole and guanidine derivatives with potential anticancer activity are propos…

chemistry.chemical_compoundVirtual screeningQuantitative structure–activity relationshipchemistryStereochemistryImidazoleMultiple linear regression analysisMolecular topologyCombinatorial chemistryGuanidine derivativesInternational Journal of Chemoinformatics and Chemical Engineering
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DNA-binding studies of a series of novel water-soluble derivatives of 1,4-dihydropyridine

2018

Aim. to determine DNA interaction modes for a series of 1,4-dihydropyridines with different biological activities synthesized in the Latvian Institute of Or-ganic Synthesis. Methods. Affinity of the compounds to DNA was detected by UV/VIS spec-trometry and re-proofed by means of spectrofluorimetry, EBr extrusion assay, cyclic voltammetry and DNA melting. Radical scavenging was tested by electron paramagnetic resonance spectros-copy, peroxynitrite binding was monitored spectrophotometrically, protection of DNA against hydroxyl radical was determined by gel electrophoresis. Results. In a series of water-soluble monocyclic derivatives of 1,4-dihydropyridine with carboxylate groups in position-…

chemistry.chemical_compoundWater solubleSeries (mathematics)ChemistryBioorganic ChemistryDihydropyridinemedicineCombinatorial chemistryGeneral Biochemistry Genetics and Molecular BiologyDNAmedicine.drugBiopolymers and Cell
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ChemInform Abstract: A Modular Synthesis of Polysubstituted Indolizines.

2013

Title compounds are synthesized by [3 + 2] cycloaddition of nitroalkenes (IV) with pyridinium salts.

chemistry.chemical_compoundbusiness.industryChemistryGeneral MedicinePyridiniumModular designbusinessCombinatorial chemistryCycloadditionChemInform
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Recent Advances in the Synthesis of Piperidines: Functionalization of Preexisting Ring Systems

2018

Abstract The present review focuses on strategies for the construction of piperidines which have appeared in the literature since 2003 through mid-2017. In a preceding chapter ( 2017AHC191 ), we summarized synthetic methods involving the construction of the piperidine ring from essentially acyclic starting materials in an intra- or intermolecular manner. The present chapter aims at giving a general overview of decoration or modification of previously generated pyridines or piperidines. The hydrogenation of preformed pyridine or pyridinium rings and introduction of substituents into fully saturated piperidines as well as ring expansion of pyrrolidines to piperidines are the most prevalent me…

chemistry.chemical_compoundchemistry010405 organic chemistryPyridineIntermolecular forceSurface modificationPyridiniumPiperidine010402 general chemistryRing (chemistry)01 natural sciencesCombinatorial chemistry0104 chemical sciences
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ChemInform Abstract: Synthesis and Stereochemical Studies of 2-Substituted Thiazolidine-4-carboxamide Derivatives.

2010

A series of new 2-substituted thiazolidine-4-carboxamide derivatives which have potentially useful immunological properties, have been synthesized in a stereoselective manner by coupling 2-subsituted thiazolidine-4-carboxylic acids with amines or amino esters. The structure of these compounds was established by combination of NMR methods and by X-ray analysis.

chemistry.chemical_compoundchemistryAmino estersmedicine.drug_classStereochemistryThiazolidinemedicineCarboxamideStereoselectivityGeneral MedicineCombinatorial chemistryChemInform
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ChemInform Abstract: Aryl Radicals by Copper(II) Oxidation of Hydrazines: A New Method for the Oxidative and Reductive Arylation of Alkenes.

1990

Abstract A new source of aryl radicals interesting from the preparative point of view has been found in the reaction of arylhydrazines and copper(II) sulfate. The process allows selectively both the reductive and oxidative arylation of alkenes.

chemistry.chemical_compoundchemistryArylRadicalchemistry.chemical_elementGeneral MedicineOxidative phosphorylationSulfateCopperCombinatorial chemistryChemInform
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Spectroscopic study of polynucleotides in cationic W/O microemulsions

2007

Water has an active and key role in determining the structure of DNA. Entrapment of DNA and of synthetic model polynucleotides in reverse micelles, where the water activity can easily be modulated, may be a useful way of assessing the influence of water on DNA characteristics; it may also offer useful ideas on the problem of how the giant DNA molecule can be confined in the limited space of cell nuclei. The quaternary microemulsion CTAB n-hexane|n-pentanol| water was used to entrap calf thymus DNA, and the model polynucleotides single-strand polyA, single-strand polyT and duplex polyAT. Ultraviolet spectros-copy, specifically the band at 260 nm, was used to compare the pairing of complement…

chemistry.chemical_compoundchemistryBase pairStereochemistryPolynucleotideHyperchromicityDenaturation (biochemistry)MicroemulsionCombinatorial chemistryMicelleDNAMacromolecule
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ChemInform Abstract: Synthesis of Tetrasubstituted 4,4′-Biimidazoles.

2012

Highly substituted 4,4′-biimidazoles were synthesized, in good to excellent yields, through a multicomponent imidazole ring synthesis by using imidazol-4-yl-ethane-1,2-diones as starting materials. The obtained compounds were preliminarily tested as chromogenic and fluorescent sensors for heavy metals.

chemistry.chemical_compoundchemistryChromogenicImidazoleHeavy metalsGeneral MedicineRing (chemistry)FluorescenceCombinatorial chemistryChemInform
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Rational Design of an Enneanuclear Copper(II) Complex with a Metallacyclophane Core

2004

chemistry.chemical_compoundchemistryCore (graph theory)Polymer chemistryRational designchemistry.chemical_elementGeneral MedicineGeneral ChemistryCopperCombinatorial chemistryCatalysisCyclophaneAngewandte Chemie International Edition
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Frontispiece: Positive Allosteric Control of Guests Encapsulation by Metal Binding to Covalent Porphyrin Cages

2019

chemistry.chemical_compoundchemistryCovalent bondMetal bindingOrganic ChemistryAllosteric regulationSupramolecular chemistryGeneral ChemistryCombinatorial chemistryPorphyrinCatalysisEncapsulation (networking)Chemistry - A European Journal
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