3028-01-1Relevant academic research and scientific papers
Effect of carbamylation on the molecular recognition action of amino benzothiazole by carrier protein
Zhang, Hua-xin,Xia, Qing-hua,Zhou, Dan
, (2020)
Increasing benzothiazole derivatives containing amino or N-acyl structures in position 2 have been largely developed as pesticides and medicines. However, the structure-function relationship of 2-substituted benzothiazole derivatives has seldom been illustrated from the perspective of their albumin-binding nature. Herein, to probe the influence of carbamylation on the albumin-binding nature of benzothiazole derivatives, formyl group was introduced to the amine group of 2-amino benzothiazole (ABT) to yield a novel modified ABT (MABT). Their protein-binding properties were systematically deciphered by spectroscopy, molecular modeling and density functional theory (DFT) calculations. The interaction mechanisms, recognition thermodynamics and binding geometry were investigated and compared. The structural alteration of human serum albumin was explored using synchronous fluorescence emission and circular dichroism spectrum technologies. Based on experimental results, the structures of protein complex with MABT and ABT were revealed by molecular docking method. The differences in energy transfer efficiency and molecular orientation of ABT and MABT in new complexes were tentatively explained by DFT calculations. The work was expected to help to understand the impact of different substituents on the bioactivity of benzothiazole derivatives and guide for structural designs of new compounds.
AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS
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Page/Page column 22-23, (2010/11/26)
The present invention relates to the CCR3 receptor ligands of the general formula (I), within them favourably to antagonists and to the salts, solvates and isomers thereof, to the pharmaceutical compositions containing them, to the use of the compounds of the general formula (I) and their salts, solvates and isomers and to the preparation of the compounds of the general formula (I) and their salts, solvates and isomers and to the new intermediates of the general formula (XX) and (XXI).
ETUDE DE LA FRAGMENTATION PAR IMPACT ELECTRONIQUE DE DERIVES DU BENZOTHIAZOLE
Claude, Saturnin,Tabacchi, Raffaele,Duc, Laurent,Fuchs, Rudolf,Boosen, Karl-Josef
, p. 682 - 692 (2007/10/02)
The mass spectra of eighteen substituted benzothiazoles are reported and discussed.All these compounds are thermodynamically stable and give an intense molecular ion, which undergoes different types of fragmentation depending on the nature of the substituent which is rarely eliminated directly. β-Cleavage with respect to the heterocyclic double bond is often obseved.Specific 2H-, 13C-, 15N- and 34S-labelling have been used in order to confirm the fragmentation patterns.
