Publications

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.
Iman Touati, Mohnad Abdalla, Yassir Boulaamane, Nawal Al-Hoshani, Abdulaziz Alouffi, Mohammed Reda Britel, Amal Maurady (2023). Identification of novel dual acting ligands targeting the adenosine A2A and serotonin 5-HT1A receptors. Journal Article.
Yassir Boulaamane, Iman Touati, Nainee Goyal, Anshuman Chandra, Lokesh Kori, Mahmoud A. A. Ibrahim, Amal Maurady (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 Article.
Yassir Boulaamane, Kailash Jangid, Mohammed Reda Britel, Amal Maurady (2023). Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics simulations. Journal Article.
Yassir Boulaamane, Pallavi Kandpal, Anshuman Chandra, Mohammed Reda Britel, Amal Maurady (2023). Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE. Journal Article.
Yassir Boulaamane, Mohammed Reda Britel, Amal Maurady (2023). Insights into the Structure-Activity Relationship of Alkynyl-Coumarinyl Ethers as Selective MAO-B Inhibitors Using Molecular Docking. Book Chapter.