Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors Y Boulaamane, I Ahmad, H Patel, N Das, MR Britel, A Maurady Journal of Biomolecular Structure and Dynamics 41 (6), 2326-2340, 2023 | 37 | 2023 |
In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA2AR antagonists for the treatment of Parkinson's disease Y Boulaamane, MAA Ibrahim, MR Britel, A Maurady Journal of Integrative Bioinformatics 19 (4), 20210027, 2022 | 17 | 2022 |
Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE Y Boulaamane, P Kandpal, A Chandra, MR Britel, A Maurady Journal of Biomolecular Structure and Dynamics 42 (4), 1629-1646, 2024 | 10 | 2024 |
β‐amino carbonyl derivatives: Synthesis, Molecular Docking, ADMET, Molecular Dynamic and Herbicidal studies. S Bhandari, A Agrwal, V Kasana, S Tandon, Y Boulaamane, A Maurady ChemistrySelect 7 (48), e202201572, 2022 | 7 | 2022 |
Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics … Y Boulaamane, K Jangid, MR Britel, A Maurady Molecular Diversity, 1-17, 2023 | 5 | 2023 |
Identification of novel dual acting ligands targeting the adenosine A2A and serotonin 5-HT1A receptors I Touati, M Abdalla, Y Boulaamane, N Al-Hoshani, A Alouffi, MR Britel, ... Journal of Biomolecular Structure and Dynamics, 1-16, 2023 | 3 | 2023 |
Antibiotic discovery with artificial intelligence for the treatment of Acinetobacter baumannii infections Y Boulaamane, I Molina Panadero, A Hmadcha, C Atalaya Rey, ... Msystems, e00325-24, 2024 | 2 | 2024 |
Exploring natural products as multi-target-directed drugs for Parkinson’s disease: an in-silico approach integrating QSAR, pharmacophore modeling, and molecular … Y Boulaamane, I Touati, N Goyal, A Chandra, L Kori, MAA Ibrahim, ... Journal of Biomolecular Structure and Dynamics, 1-18, 2023 | 2 | 2023 |
In silico Discovery of Dual Ligands Targeting MAO-B and AA2AR from African Natural Products Using Pharmacophore Modelling, Molecular Docking, and … Y Boulaamane, I Touati, I Qamar, I Ahmad, H Patel, A Chandra, MR Britel, ... Chemistry Africa, 1-23, 2024 | | 2024 |
Dendrobium nobile alkaloids modulate calcium dysregulation and neuroinflammation in Alzheimer's disease: A bioinformatic analysis I Touati, Y Boulaamane, MR Britel, A Maurady Pharmacological Research-Modern Chinese Medicine 12, 100495, 2024 | | 2024 |
Identification of Natural Inhibitors of SARS-CoV-2 Main Protease (Mpro) via Structure-Based Virtual Screening and Molecular Dynamics Simulations Y Boulaamane, I Touati, B Sadoq, S Agarwal, A Chandra, MR Britel, ... | | 2024 |
EnsembleBBB: Enhanced accuracy in predicting drug blood-brain barrier permeability with a Machine Learning Ensemble model Y Boulaamane, A Maurady | | 2023 |
Antibiotic discovery with artificial intelligence for the treatment of Acinetobacter baumannii infections Y Smani, Y Boulaamane, IM Panadero, A Hmadcha, CA Rey, S Baammi, ... | | 2023 |
Insights into the Structure-Activity Relationship of Alkynyl-Coumarinyl Ethers as Selective MAO-B Inhibitors Using Molecular Docking Y Boulaamane, MR Britel, A Maurady | | 2023 |
Computational Exploration of Acefylline Derivatives as MAO-B Inhibitors for Parkinson's disease: Insights from Molecular Docking, DFT, ADMET, and Molecular Dynamics Approaches A Irfan, Y Ali, Y Boulaamane, S Javed, H Hameed, AF Zahoor, A Maurady, ... Frontiers in Chemistry 12, 1449165, 0 | | |