Publications (10) Publications de ALEJANDRO RODRÍGUEZ MARTÍNEZ

2024

  1. Assessment of the Interaction of Acetylcholinesterase Binding with Bioactive Compounds from Coffee and Coffee Fractions Digested In Vitro in the Gastrointestinal Tract

    Journal of Agricultural and Food Chemistry

  2. Corrigendum to “Monastrol suppresses invasion and metastasis in human colorectal cancer cells by targeting fascin independent of kinesin-Eg5 pathway” [Biomed. Pharmacother. 175 (2024) 116785] (Biomedicine & Pharmacotherapy (2024) 175, (S0753332224006693), (10.1016/j.biopha.2024.116785))

    Biomedicine and Pharmacotherapy

  3. ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery

    Journal of Chemical Information and Modeling, Vol. 64, Núm. 5, pp. 1605-1614

  4. Enhancing MD simulations: ASGARD’s automated analysis for GROMACS

    Journal of Biomolecular Structure and Dynamics

  5. Monastrol suppresses invasion and metastasis in human colorectal cancer cells by targeting fascin independent of kinesin-Eg5 pathway

    Biomedicine and Pharmacotherapy, Vol. 175

  6. Phage display identification of high-affinity ligands for human TSG101-UEV: A structural and thermodynamic study of PTAP recognition

    International Journal of Biological Macromolecules, Vol. 274

2023

  1. Antimalarial phytochemicals as potential inhibitors of SARS-CoV-2 guanine N7-methyltransferase (nsp 14): an integrated computational approach

    Journal of Biomolecular Structure and Dynamics, Vol. 41, Núm. 11, pp. 5022-5044

  2. Piperazine-derived small molecules as potential Flaviviridae NS3 protease inhibitors. In vitro antiviral activity evaluation against Zika and Dengue viruses

    Bioorganic Chemistry, Vol. 133

2022

  1. African derived phytocompounds may interfere with SARS-CoV-2 RNA capping machinery via inhibition of 2′-O-ribose methyltransferase: An in silico perspective

    Journal of Molecular Structure, Vol. 1262

  2. Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies

    Nutrients, Vol. 14, Núm. 12