Publicaciones (53) Publicaciones de MARIA GALVEZ LLOMPART

2024

  1. Rational Design of a Potential New Nematicide Targeting Chitin Deacetylase

    Journal of Agricultural and Food Chemistry, Vol. 72, Núm. 5, pp. 2482-2491

  2. Targeting bacterial growth in biofilm conditions: rational design of novel inhibitors to mitigate clinical and food contamination using QSAR

    Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 39, Núm. 1

2023

  1. Drug screening of α-amylase inhibitors as candidates for treating diabetes

    Journal of Cellular and Molecular Medicine, Vol. 27, Núm. 15, pp. 2249-2260

  2. Elucidating the mechanism of action of mycotoxins through machine learning-driven QSAR models: Focus on lipid peroxidation

    Food and Chemical Toxicology, Vol. 182

  3. Machine Learning Search for Suitable Structure Directing Agents for the Synthesis of Beta (BEA) Zeolite Using Molecular Topology and Monte Carlo Techniques

    AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials (wiley), pp. 61-80

2022

  1. COVID-19 and the Importance of Being Prepared: A Multidisciplinary Strategy for the Discovery of Antivirals to Combat Pandemics

    Biomedicines, Vol. 10, Núm. 6

  2. How Molecular Topology Can Help in Amyotrophic Lateral Sclerosis (ALS) Drug Development: A Revolutionary Paradigm for a Merciless Disease

    Pharmaceuticals, Vol. 15, Núm. 1

  3. Rational Design of Chitin Deacetylase Inhibitors for Sustainable Agricultural Use Based on Molecular Topology

    Journal of Agricultural and Food Chemistry, Vol. 70, Núm. 41, pp. 13118-13131

2021

  1. Computational analysis of macrolides as SARS-CoV-2 main protease inhibitors: A pattern recognition study based on molecular topology and validated by molecular docking

    New Journal of Chemistry, Vol. 45, Núm. 19, pp. 8654-8675

  2. Macrolides May Prevent Severe Acute Respiratory Syndrome Coronavirus 2 Entry into Cells: A Quantitative Structure Activity Relationship Study and Experimental Validation

    Journal of Chemical Information and Modeling, Vol. 61, Núm. 4, pp. 2016-2025

  3. Targeting the JAK/STAT Pathway: A Combined Ligand- And Target-Based Approach

    Journal of Chemical Information and Modeling, Vol. 61, Núm. 6, pp. 3091-3108

2020

  1. Drugs repurposing for coronavirus treatment: computational study based on molecular topology

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 12, pp. 15-18

  2. Identification of New Templates for the Synthesis of BEA, BEC, and ISV Zeolites Using Molecular Topology and Monte Carlo Techniques

    Journal of chemical information and modeling, Vol. 60, Núm. 6, pp. 2819-2829

  3. Molecular Topology QSAR Strategy for Crop Protection: New Natural Fungicides with Chitin Inhibitory Activity

    ACS Omega, Vol. 5, Núm. 27, pp. 16358-16365

  4. What place does molecular topology have in today’s drug discovery?

    Expert Opinion on Drug Discovery, Vol. 15, Núm. 10, pp. 1133-1144

2019

  1. Computational screening of structure directing agents for the synthesis of zeolites. A simplified model

    Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 234, Núm. 7-8, pp. 451-460

  2. DesmoL2, an effective tool for the construction of molecular libraries and its application to QSAR using molecular topology

    Molecules, Vol. 24, Núm. 4

  3. Molecular topology and QSAR multi-target analysis to boost the in silico research for fungicides in agricultural chemistry

    Molecular Diversity, Vol. 23, Núm. 2, pp. 371-379

2018

  1. Alzheimer: A decade of drug design. Why molecular topology can be an extra edge?

    Current Neuropharmacology, Vol. 16, Núm. 6, pp. 849-864

2017

  1. Molecular topology: A new strategy for antimicrobial resistance control

    European Journal of Medicinal Chemistry, Vol. 137, pp. 233-246