Amal Maurady
Tetouan, 93000, Morocco
Last Updated: 09/26/2026
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Found 21 publications
Repurposing DrugBank compounds as NAD-dependent deacetylase sirtuin 2 inhibitors via QSAR modelling with gradient boosting algorithms and all-atom molecular simulations.
Journal: Molecular diversity
Published: August 30, 2025
Computational screening of natural products as tryptophan 2,3-dioxygenase inhibitors: Insights from CNN-based QSAR, molecular docking, ADMET, and molecular dynamics simulations.
Journal: Computers in biology and medicine
Published: November 17, 2024
Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson's disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches.
Journal: Frontiers in chemistry
Published: June 14, 2024
Development of MetaXplore: An Interactive Tool for Targeted Metagenomic Analysis.
Journal: Current issues in molecular biology
Published: April 15, 2024
Identification of novel dual acting ligands targeting the adenosine A2A and serotonin 5-HT1A receptors.
Journal: Journal of biomolecular structure & dynamics
Published: October 18, 2023
Exploring natural products as multi-target-directed drugs for Parkinson's disease: an in-silico approach integrating QSAR, pharmacophore modeling, and molecular dynamics simulations.
Journal: Journal of biomolecular structure & dynamics
Published: September 27, 2023
Characterization of the Bacterial Profile from Natural and Laboratory Glossina Populations.
Journal: Insects
Published: August 07, 2023
Constituents of Stachys plants as potential dual inhibitors of AChE and NMDAR for the treatment of Alzheimer's disease: a molecular docking and dynamic simulation study.
Journal: Journal of biomolecular structure & dynamics
Published: June 16, 2023
Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE.
Journal: Journal of biomolecular structure & dynamics
Published: May 18, 2023
Last Updated: 09/26/2026