Publications

Mena Abdelsayed, Yassir Boulaamane (2025). Drug Repurposing for AML: Structure-Based Virtual Screening and Molecular Simulations of FDA-Approved Compounds with Polypharmacological Potential. Journal Article.

Yassir Boulaamane, Santiago Bolivar Avila, Juan Rosales Hurtado, Iman Touati, Badr-Edine Sadoq, Aamal A. Al-Mutairi, Ali Irfan, Sami A. Al-Hussain, Amal Maurady, Magdi E. A. Zaki (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 Article.

Badr-Edine Sadoq, Yassir Boulaamane, Iman Touati, Mohammed Reda Britel, Amal Maurady (2025). Virtual Screening and Identification of Natural Molecules as Promising Quorum Sensing Inhibitors against Pseudomonas aeruginosa. Journal Article.

Yassir Boulaamane, Meriem Khedraoui, Samir Chtita, Iman Touati, Badr-Edine Sadoq, Mohammed Reda Britel, Amal Maurady (2024). Computational Investigation of Phytochemicals from Aloysia citriodora as Drug Targets for Parkinson's Disease-Associated Proteins. Journal Article.

Badr-Edine Sadoq, Somdutt Mujwar, Mohamed Sadoq, Yassir Boulaamane, Mohammed Reda Britel, Adel Bouajaj, Ahmed Touhami, Fakhita Touhami, Amal Maurady (2024). Metal and Metal Oxide Nanoparticles: Computational Analysis of Their Interactions and Antibacterial Activities Against Pseudomonas aeruginosa. Journal Article.

Ali Irfan, Ameer Fawad Zahoor, Yassir Boulaamane, Sadia Javed, Huma Hameed, Amal Maurady, Muhammed Tilahun Muhammed, Aamal A. Al-Mutairi, Sajjad Ahmad, Irum Shahzadi, Sami A. Al-Hussain, Magdi E. A. Zaki (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 Article.

Yassir Boulaamane, Iman Touati, Imteyaz Qamar, Iqrar Ahmad, Harun Patel, Anshuman Chandra, Amal Maurady (2024). In silico Discovery of Dual Ligands Targeting MAO-B and AA2AR from African Natural Products Using Pharmacophore Modelling, Molecular Docking, and Molecular Dynamics Simulations. Journal Article.

Yassir Boulaamane, Iman Touati, Badr-Edine Sadoq, Shilpi Agarwal, Anshuman Chandra, Mohammed Reda Britel, Amal Maurady (2024). Identification of Natural Inhibitors of SARS-CoV-2 Main Protease (Mpro) via Structure-Based Virtual Screening and Molecular Dynamics Simulations. Journal Article.

Iman Touati, Yassir Boulaamane, Mohammed Reda Britel, Amal Maurady (2024). Dendrobium nobile alkaloids modulate calcium dysregulation and neuroinflammation in Alzheimer's disease: A bioinformatic analysis. Journal Article.

Yassir Boulaamane, Irene Molina Panadero, Abdelkrim Hmadcha, Celia Atalaya Rey, Soukayna Baammi, Achraf El Allali, Amal Maurady, Younes Smani (2024). Antibiotic discovery with artificial intelligence for the treatment of Acinetobacter baumannii infections. Journal Article.