Works matching DE "MOLECULAR docking"


Results: 5000
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    A Comprehensive Study of the Synthesis, Spectral Characteristics, Quantum–Chemical Molecular Electron Density Theory, and In Silico Future Perspective of Novel CBr 3 -Functionalyzed Nitro-2-Isoxazolines Obtained via (3 + 2) Cycloaddition of (E)-3,3,3-Tribromo-1-Nitroprop-1-ene

    Published in:
    Molecules, 2025, v. 30, n. 10, p. 2149, doi. 10.3390/molecules30102149
    By:
    • Zawadzińska-Wrochniak, Karolina;
    • Kula, Karolina;
    • Ríos-Gutiérrez, Mar;
    • Gostyński, Bartłomiej;
    • Krawczyk, Tomasz;
    • Jasiński, Radomir
    Publication type:
    Article
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    Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies.

    Published in:
    Molecules, 2025, v. 30, n. 10, p. 2096, doi. 10.3390/molecules30102096
    By:
    • Ranguin, Ronald;
    • Ncibi, Mohamed Chaker;
    • Jean-Marius, Corine;
    • Brouers, François;
    • Cebrián-Torrejón, Gerardo;
    • Doménech-Carbó, Antonio;
    • Souila, Steffen;
    • Sánchez-Aparicio, José-Emilio;
    • Dorce, Daniel;
    • Zapirain-Gysling, Iker;
    • Maréchal, Jean-Didier;
    • Jauregui-Haza, Ulises;
    • Gaspard, Sarra
    Publication type:
    Article
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    Design, Synthesis, and Evaluation of Antinociceptive Properties of Novel CBD-Based Terpene-Cinnamoyl-Acyl-Hydrazone Analogues.

    Published in:
    Pharmaceuticals (14248247), 2025, v. 18, n. 5, p. 755, doi. 10.3390/ph18050755
    By:
    • de Souza, Mikaela Lucinda;
    • de Paiva, João Pedro Barros;
    • Franco, Graziella dos Reis Rosa;
    • Gontijo, Vanessa Silva;
    • Alves, Marina Amaral;
    • de Souza, Hygor Marcos Ribeiro;
    • Lontra, Anna Carolina Pereira;
    • de Oliveira, Eduardo Araújo;
    • Giorno, Thaís Biondino Sardella;
    • Guedes, Isabella Alvim;
    • Dardenne, Laurent Emmanuel;
    • Fernandes, Patrícia Dias;
    • Viegas Jr., Claudio
    Publication type:
    Article
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    Novel Potent and Selective Dopamine D4 Receptor Piperidine Antagonists as Potential Alternatives for the Treatment of Glioblastoma.

    Published in:
    Pharmaceuticals (14248247), 2025, v. 18, n. 5, p. 739, doi. 10.3390/ph18050739
    By:
    • Matteucci, Federica;
    • Pavletić, Pegi;
    • Bonifazi, Alessandro;
    • Garland, Rian;
    • Yano, Hideaki;
    • Amantini, Consuelo;
    • Zeppa, Laura;
    • Sabato, Emanuela;
    • Vistoli, Giulio;
    • Mammoli, Valerio;
    • Cappellacci, Loredana;
    • Del Bello, Fabio;
    • Giorgioni, Gianfabio;
    • Petrelli, Riccardo;
    • Piergentili, Alessia;
    • Quaglia, Wilma;
    • Piergentili, Alessandro
    Publication type:
    Article
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    Norfloxacin Derivative with Carbazole at C-7 FQB-1 Induces Cytotoxic, Antiproliferative, and Antitumor Effects in an Experimental Lung Carcinoma Model.

    Published in:
    Pharmaceuticals (14248247), 2025, v. 18, n. 5, p. 664, doi. 10.3390/ph18050664
    By:
    • Bocanegra-Zapata, Alondra;
    • Hernández-López, Hiram;
    • Leyva-Ramos, Socorro;
    • Cervantes-Villagrana, Rodolfo Daniel;
    • Galván-Valencia, Marisol;
    • Veyna-Hurtado, L. Angel;
    • Tovar, Norma Guadalupe Ramírez;
    • Albores-García, Damaris;
    • de la Torre, Juan Armando Flores;
    • Cervantes-Villagrana, Alberto Rafael
    Publication type:
    Article
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