CV
Education
- Ph.D in Chemistry2019School of Sciences, Moulay Ismail University, Meknes, Morocco
- M.S. in Chemistry2014School of Sciences, Moulay Ismail University, Meknes, Morocco
- B.S. in Chemistry2012School of Sciences, Moulay Ismail University, Meknes, Morocco
Skills
Publications
- Exploring the chemical space of BRAF Inhibitors: A cheminformatic and Machine learning analysis2024Journal of Molecular LiquidsThis study systematically analyzed and modeled 3,952 BRAF kinase inhibitors using cheminformatics and machine learning to reveal chemical space, scaffold diversity, and structure–activity relationships, identifying key scaffolds and activity cliff molecules to guide the design of more effective BRAF inhibitors against melanoma with acquired resistance.
- Supervised Machine learning and Molecular docking modeling to Identify Potential Anti-Parkinson’s Agents2025Journal of Molecular Graphics and ModellingThis study used CHEMBL data to build and evaluate machine learning models with different descriptors, identifying the XGBoost model with RDkit features as the best for predicting adenosine A2A receptor inhibitors, supported by molecular docking, to aid in discovering new Anti-Parkinson's agents.
- Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamic and ADMET evaluation2020Journal of Biomolecular Structure & DynamicsUsing computational screening and molecular dynamics, we identified three promising compounds targeting SARS-CoV-2’s main protease and polymerase as potential dual inhibitors to combat COVID-19.
Presentations
- Introduction to KNIME for Cheminformatics: Molecular Fingerprints, Machine Learning, and Pipeline Creation2023NyBerMan BioinformaticsOnline Workshop
- Identification of New Small Molecules Antiviral Agents as Protein-Protein Inhibitors of the ACE2 : Coronavirus Spike Interactions to Prevent the Entry of SARS-CoV-2 to the host Cell2021GGMM and SFCi Congress, Lilliade, Lille University, FranceLille, France
- Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamic and ADMET evaluation2020UMI Meknès, MoroccoMeknès, Morocco
Teaching
- Organic Chemistry2022University of Ibn Zohr, Chemistry DepartmentRole: Undergraduate course
- Chemical Bonding2022Faculty of Applied Sciences, Ait-Melloul, Chemistry DepartmentRole: WorkshopUndergraduate course
- Cheminformatics In KNIME2023NyBerMan BioinformaticsRole: WorkshopI delivered a talk introducing KNIME as a powerful tool for data analysis, explained molecular fingerprints and descriptors along with their associated file formats, and demonstrated fundamental machine learning concepts. Additionally, I guided participants through the process of building machine learning models and creating automated pipelines using KNIME.