Yassir Boulaamane
Tetouan, 93000, Morocco
Last Updated: 09/26/2026
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Found 16 publications
QSAR-Guided Virtual Screening and Molecular Dynamics Reveal Olaparib as a Repurposing Lead Against α-Synuclein Aggregation.
Journal: International journal of molecular sciences
Published: June 24, 2026
FDA-Approved Drug Repurposing as p53 Mutants Rescue Candidates Using Structure-Based Virtual Screening and Molecular Simulations.
Journal: International journal of molecular sciences
Published: June 24, 2026
Repurposing FDA-Approved Drugs as Nav1.7 Channel Modulators: An Integrated Structure-Based Virtual Screening and Molecular Dynamics Study.
Journal: International journal of molecular sciences
Published: June 12, 2026
ARumenamides as Multitarget Ion Channel Modulators: Insights from Fenestration-Focused Docking, ADMET Profiling, and Molecular Dynamics.
Journal: International journal of molecular sciences
Published: May 08, 2026
Odorant-Binding Protein Interactions with Herbivore-Induced Volatiles Drive Behavioral Attraction of Harmonia axyridis (Coleoptera: Coccinellidae) to Tuta Absoluta-Infested Tomato Plant.
Journal: Journal of agricultural and food chemistry
Published: March 30, 2026
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
Drug Repurposing for AML: Structure-Based Virtual Screening and Molecular Simulations of FDA-Approved Compounds with Polypharmacological Potential.
Journal: Biomedicines
Published: August 28, 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
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
Last Updated: 09/26/2026