Results 31 to 40 of about 24,259 (231)
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach. [PDF]
, 2017 Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations.
Abagyan, Ruben +2 more
core +2 more sources
Angewandte Chemie, EarlyView.The vanadium‐dependent haloperoxidase (VHPO) class of enzymes has been shown to catalyze cryptic nitrile oxide generation in an oxidative [3+2] cycloaddition reaction between aldoximes and alkenes to generate isoxazolines. This biotechnology has been applied to a chemoenzymatic sequence starting from aldehydes through in situ condensation with ...
Manik Sharma, Kyle F. Biegasiewicz
wiley +2 more sources
Solvent‐Induced Covalent Bond Softening Boosts Battery Voltage
Angewandte Chemie, EarlyView.The strong attractive interaction between the nucleophilic center of the solvent and the electrophilic region of the covalently bonded cathode fragment triggers charge transfer. This results in the electron population in the antibonding orbital of the covalent bond, leading to bond weakening and elongation, and consequently increasing the cathode ...
Yanyan Wang +6 more
wiley +2 more sources
(4+2)-cycloaddition of nitroalkenes with ynamines; formation of a 4H-1,2-oxazine 2-oxide derivative [PDF]
, 1980 The formation of a thermally unstable (4+2)-cycloadduct, a 4H-1,2-oxazine 2-oxide derivative ( ), from the reaction of 1-nitrocyclopentene with 1-phenyl-2-(1-pyrrolidinyl)acetylene has been proven by the structure elucidation of isoxazole derivative ...
Pennings, M.L.M., Reinhoudt, D.N.
core +2 more sources
Analgesic Activity of Some 1,2,4-Triazole Heterocycles Clubbed with Pyrazole, Tetrazole, Isoxazole and Pyrimidine [PDF]
, 2013 Purpose: In the present study in vivo analgesic activity of some previously synthesized 1,2,4-triazole derivatives containing pyrazole, tetrazole, isoxazole and pyrimidine ring have been evaluated.
Appala Raju +3 more
core +1 more source
One-step synthesis of differently bis-functionalized isoxazoles by cycloaddition of carbamoylnitrile oxide with β-keto esters [PDF]
, 2012 A new protocol for synthesizing different functionalized isoxazoles is provided. Carbamoylnitrile oxide generated from nitroisoxazolone underwent inverse electron-demand 1,3-dipolar cycloaddition with 1,3-dicarbonyl compounds in the presence of magnesium
975 +15 more
core +1 more source
5-(Benzoyloxymethyl)isoxazole-3-carboxylic Acid Ethyl Ester
MolbankWe describe here the palladium hydrogenation of ethyl 5-(benzoyloxymethyl)isoxazole-3-carboxylate. The presence of two reducible sites in the molecule, namely the benzylic-like position and the isoxazole N–O bond, creates a possible competition.
Cosimo Antonini +2 more
doaj +1 more source
Acta Pharmaceutica, 2014 A novel series of thiophenes having biologically active sulfonamide 2-11, 3-methylisoxazole 12, 4-methoxybenzo[d] thiazole 13, quinoline 14, 15, benzoylphenylamino 16, and anthracene-9,10-dione 17 moieties were prepared.
Ghorab Mostafa M. +2 more
doaj +1 more source
Cycloadditions of cyclohexynes and cyclopentyne. [PDF]
, 2014 We report the strategic use of cyclohexyne and the more elusive intermediate, cyclopentyne, as a tool for the synthesis of new heterocyclic compounds. Experimental and computational studies of a 3-substituted cyclohexyne are also described.
Garg, Neil K +4 more
core +2 more sources
Isoxazoles from 1,1-disubstituted bromoalkenes [PDF]
Tetrahedron Letters, 2007 AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Sureshbabu, Dadiboyena +2 more
openaire +2 more sources