Works matching DE "PHARMACOPHORE"

Results: 182
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    Integrated workflow for the identification of new GABA<sub>A</sub>R positive allosteric modulators based on the in silico screening with further in vitro validation. Case study using Enamine's stock chemical space.

    Published in:
    Molecular Informatics, 2024, v. 43, n. 2, p. 1, doi. 10.1002/minf.202300156
    By:
    • Platonov, Maksym;
    • Maximyuk, Oleksandr;
    • Rayevsky, Alexey;
    • Iegorova, Olena;
    • Hurmach, Vasyl;
    • Holota, Yuliia;
    • Bulgakov, Elijah;
    • Cherninskyi, Andrii;
    • Karpov, Pavel;
    • Ryabukhin, Sergey;
    • Krishtal, Oleg;
    • Volochnyuk, Dmitriy
    Publication type:
    Article
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    2-Aminothiophene Derivatives—New Drug Candidates Against Leishmaniasis: Drug Design, Synthesis, Pharmacomodulation, and Antileishmanial Activity.

    Published in:
    Pharmaceuticals (14248247), 2025, v. 18, n. 1, p. 125, doi. 10.3390/ph18010125
    By:
    • de Araújo, Rodrigo Santos Aquino;
    • Bernardo, Vitória Gaspar;
    • Tibúrcio, Robert da Silva;
    • Bedor, Danilo Cesar Galindo;
    • Campos, Michel Leandro de;
    • Pontarolo, Roberto;
    • de Sousa, Julyanne Maria Saraiva;
    • Rodrigues, Klinger Antonio da Franca;
    • Scotti, Marcus Tullius;
    • Nayarisseri, Anuraj;
    • Marchand, Pascal;
    • Mendonça-Junior, Francisco Jaime Bezerra
    Publication type:
    Article
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    Identification of Potential Multitarget Compounds against Alzheimer's Disease through Pharmacophore-Based Virtual Screening.

    Published in:
    Pharmaceuticals (14248247), 2023, v. 16, n. 12, p. 1645, doi. 10.3390/ph16121645
    By:
    • Mendes, Géssica Oliveira;
    • Araújo Neto, Moysés Fagundes de;
    • Barbosa, Deyse Brito;
    • Bomfim, Mayra Ramos do;
    • Andrade, Lorena Silva Matos;
    • Carvalho, Paulo Batista de;
    • Oliveira, Tiago Alves de;
    • Falkoski, Daniel Luciano;
    • Maia, Eduardo Habib Bechelane;
    • Valle, Marcelo Siqueira;
    • Damázio, Laila Cristina Moreira;
    • Silva, Alisson Marques da;
    • Taranto, Alex Gutterres;
    • Leite, Franco Henrique Andrade
    Publication type:
    Article
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    Watermelon: setup and validation of an in silico fragment-based approach.

    Published in:
    Journal of Enzyme Inhibition & Medicinal Chemistry, 2024, v. 39, n. 1, p. 1, doi. 10.1080/14756366.2024.2356179
    By:
    • Di Stefano, Miriana;
    • Galati, Salvatore;
    • Piazza, Lisa;
    • Gado, Francesca;
    • Granchi, Carlotta;
    • Macchia, Marco;
    • Giordano, Antonio;
    • Tuccinardi, Tiziano;
    • Poli, Giulio
    Publication type:
    Article
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    Screening Enamine Fragments Library in the Quest for Novel SOS2 Inhibitors: Pharmacophore Modelling, Molecular Docking, MMGBSA Calculations, and MD Simulation.

    Published in:
    Journal of Pharmacy & Bioallied Sciences, 2025, v. 17, p. S1894, doi. 10.4103/jpbs.jpbs_534_25
    By:
    • Alzain, Abdulrahim A.;
    • Almogaddam, Mohammed A.;
    • Makki, Alaa A.;
    • Edris, Alaa;
    • Mohamed, Hagar M.;
    • Ehaimir, Sitelbanat Y.;
    • Mohamed, Shaimaa G. A.;
    • Taher Felemban, Sarah Ameen;
    • Hammad Alshammari, Wedad Hamad;
    • Mohamed, Gamal A.;
    • Ibrahim, Sabrin R. M.
    Publication type:
    Article
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