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New Brassinosteroid Analogs with 23,24-Dinorcholan Side Chain, and Benzoate Function at C-22: Synthesis, Assessment of Bioactivity on Plant Growth, and Molecular Docking Study
(Multidisciplinary Digital Publishing Institute (MDPI), 2024)
Formação de complexos entre compostos híbridos pirrolbenzodiazepinas-cumarinas com DNA por estudos de docking molecular
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-Graduação em Biotecnologia - PPGBiotec, 2011-03-24)
Compounds of the pirrolbenzodiazepine (PBD) family are known for their promising antitumor activity. Among these, the hybrids, those that have a portion PDB a chain spacer and another functional group, such as the coumarins ...
Coumarin derivatives as promising xanthine oxidase inhibitors
(Elsevier B.V., 2018)
Docking entre la tripanotiona reductasa de leishmania y sesquiterpenolactonas de Xanthium catharticum y comparación con el fármaco antimoniato de meglumina utilizando modelado molecular mediante DFT y dinámica molecular
(Universidad Nacional de San Agustín de ArequipaPE, 2019)
Se realizó el estudio de los índices locales de reactividad Parr, Fukui y las propiedades de reactividad local y global sobre las sesquiterpenlactonas aisladas presentes en el Xanthium catharticum (componente bioactivo de ...
Nanopartículas de grafite para carreamento de antiinflamatórios não esteroidais por estudos de docking molecular
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-Graduação em Biotecnologia - PPGBiotec, 2013-08-13)
The non steroidal anti-inflammatory drugs have been known for over 100 years and has been widely used by mankind. However cause adverse effects, since gastrointestinal complications to cardiac diseases many of these symptoms ...
Molecular Docking and Molecular Dynamic Studies of Semi-Synthetic Piperidine Alkaloids as Acetylcholinesterase Inhibitors
(Soc Brasileira Quimica, 2012-01-01)
The mixture of semi-synthetic derivatives (-)-3-O-acetyl-cassine hydrochloride and (-)-3-O-acetyl-spectaline hydrochloride, prepared from the mixture of natural alkaloids (-)-cassine and (-)-spectaline (4:1) isolated from ...
Molecular Docking and Molecular Dynamic Studies of Semi-Synthetic Piperidine Alkaloids as Acetylcholinesterase Inhibitors
(Soc Brasileira Quimica, 2012-01-01)
The mixture of semi-synthetic derivatives (-)-3-O-acetyl-cassine hydrochloride and (-)-3-O-acetyl-spectaline hydrochloride, prepared from the mixture of natural alkaloids (-)-cassine and (-)-spectaline (4:1) isolated from ...
Current trends in molecular modeling methods applied to the study of cyclodextrin complexes
(Springer, 2018-02)
In this review the authors present an overview of different molecular modeling campaigns dealing with the study and characterization of cyclodextrins (CDs) inclusion complexes with applicability to diverse biomedical and ...