CV

Education

Ph.D. in Cheminformatics and Computational Chemistry, National School of Applied Sciences of Tangier, Abdelmalek Essaadi University, Tetouan, Morocco, 2024
- Thesis: Data-driven discovery of bioactive natural products: Application to neurodegenerative and infectious diseases
M.S. in Biology and Biomaterials of the Oral Medium, Faculty of Dentistry of Rabat, Mohammed V University, Rabat, Morocco, 2020
B.S. in Biology, Faculty of Sciences of Rabat, Mohammed V University, Rabat, Morocco, 2017

Work Experience

Scientific Methodology Supervisor (Oct 2024 to Nov 2024)
Al-Zahrawi International University of Health Sciences, Rabat, Morocco
- Taught scientific methodology and supervised medical students in thesis writing
- Ensured proper research design, data analysis, and adherence to academic standards
Associate Researcher (Jul 2024 to Present)
- Led undergraduate lectures and seminars on cheminformatics and biochemistry
- Assisted in biochemistry laboratory demonstrations
- Supervised bachelor’s and master’s thesis students
Visiting Ph.D. Student (May 2023 to Jul 2023)
Andalusian Center for Developmental Biology, University of Pablo de Olavide, Seville, Spain
- Conducted minimal inhibitory concentration (MIC) calculations and time-kill curve assays
- Performed bacterial adhesion assays under the supervision of Prof. Younes Smani
Visiting Ph.D. Student (May 2022 to Oct 2022)
Department of Environmental Engineering, University of Patras, Agrinio, Greece
- Performed DNA extraction, 16S rRNA amplification, amplicon library preparation for sequencing, and NGS data analysis
- Supervised by Prof. George Tsiamis
Scientific Content Writing Intern (Fall 2021)
Uresearcher
- Wrote blog posts on data-driven drug discovery
- Supervisor: Dr. Pankaj Mishra
Scientific Content Writer (Winter 2024)
Neovarsity
- Authored articles on data-driven drug discovery
- Supervisor: Dr. Pankaj Mishra
Supervising Assistant (Fall 2021)
Faculty of Sciences and Techniques of Tangier, Abdelmalek Essaadi University
- Taught molecular modeling and chemical database concepts
- Supervisor: Prof. Amal Maurady

Skills

Laboratory Techniques

DNA extraction, PCR amplification, PCR purification
MIC calculations, bacterial adhesion assays

Computational Skills

Molecular modeling: Molecular docking, molecular dynamics simulations, 3D-QSAR, pharmacophore modeling, virtual screening, free energy calculations
Cheminformatics: Machine learning and AI for drug discovery, chemical data curation and analysis
Bioinformatics: Metagenomics data analysis, primer design, in silico PCR
Tools and software: GROMACS, AutoDock, PyMOL, scikit-learn, TensorFlow, R, Python

Professional Skills

Scientific writing and editing
Teaching and mentoring
Project management

Publications

Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors Permalink

In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA_2AR antagonists for the treatment of Parkinson’s disease Permalink

β-amino carbonyl derivatives: Synthesis, Molecular Docking, ADMET, Molecular Dynamic and Herbicidal studies. Permalink

Insights into the Structure-Activity Relationship of Alkynyl-Coumarinyl Ethers as Selective MAO-B Inhibitors Using Molecular Docking Permalink

Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE Permalink

Probing the molecular mechanisms of α‑synuclein inhibitors unveils promising natural candidates through machine‑learning QSAR, pharmacophore modeling, and molecular dynamics simulations Permalink

Exploring natural products as multi-target-directed drugs for Parkinson’s disease: an in-silico approach integrating QSAR, pharmacophore modeling, and molecular dynamics simulations Permalink

Identification of novel dual acting ligands targeting the adenosine A2A and serotonin 5-HT1A receptors Permalink

Antibiotic discovery with artificial intelligence for the treatment of Acinetobacter baumannii infections Permalink

Dendrobium nobile alkaloids modulate calcium dysregulation and neuroinflammation in Alzheimer’s disease: A bioinformatic analysis Permalink

Identification of Natural Inhibitors of SARS-CoV-2 Main Protease (Mpro) via Structure-Based Virtual Screening and Molecular Dynamics Simulations Permalink

In silico Discovery of Dual Ligands Targeting MAO-B and AA2AR from African Natural Products Using Pharmacophore Modelling, Molecular Docking, and Molecular Dynamics Simulations Permalink

Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson’s disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches Permalink

Metal and Metal Oxide Nanoparticles: Computational Analysis of Their Interactions and Antibacterial Activities Against Pseudomonas aeruginosa Permalink

Computational Investigation of Phytochemicals from Aloysia citriodora as Drug Targets for Parkinson’s Disease-Associated Proteins Permalink

Awards

2021 | Best Poster Award, International Bioinformatics Conference (IBC’2021)
2022 | Erasmus+ KA 107 Mobility for Studies
2023 | Erasmus+ Mobility for Traineeships
2024 | Best ePoster Award, International eHealth Forum - Morocco 2024

Conferences

Docking-based virtual screening and ADME evaluation of caffeine-based phytochemicals as inhibitors of Monoamine Oxidase B Permalink

June 23, 2021

presentation at 1st International Bioinformatics Conference (iABC2021), Istanbul, Turkey

Machine Learning model to predict potential Monoamine Oxidase B inhibitors from Cannabis Compound Database Permalink

December 27, 2021

poster at International Bioinformatics Conference IBC'2021, Hotel Solazur, Tangier, Morocco

Computational studies of African Natural Products Databases to identify natural dual-target-directed antiparkinsonian drugs Permalink