Scientific and Technical Research Centre in Physico-chemical Analysis (C.R.A.P.C) | Algeria
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📚 Early Academic Pursuits
Dr. Abdeldjebar’s academic journey began at the University of Science and Technology Houari Boumediene (USTHB) in Algiers, where she completed her Bachelor's, Master's, and Ph.D. in Medicinal Chemistry. Her Ph.D. research bridged theory and practice, investigating the reactivity of bioactive compounds and their interaction with biological targets — laying a solid foundation for her scientific career.
🧪 Professional Endeavors
Since 2019, she has served as a Permanent Researcher at CRAPC, Bou-Ismaïl, where she delves into quantum chemical simulations and material modeling. She applies a multifaceted approach involving DFT, IRC path tracking, docking simulations, and spectroscopy to study polymers, biomolecules, MOFs, and optoelectronic materials. Her research is deeply rooted in scientific precision and innovation.
🔬 Contributions and Research Focus
Dr. Abdeldjebar’s work revolves around:
🎯 Chemical Reactivity — including DFT analysis, Fukui functions, and NBO
⚙️ Reaction Mechanisms — modeling transition states and energy profiles
🧬 Medicinal Chemistry — using QSAR, docking, and ADMET predictions for drug design
⚗️ Nanomaterials & Polymers — studying structural-electronic relationships and stability
🔗 Organometallic Complexes — evaluating charge transfer and catalytic potential
Her ability to blend theoretical chemistry with computational and experimental tools has made significant contributions across chemistry, biophysics, and pharmaceutical science.
🏆 Accolades and Recognition
Dr. Abdeldjebar has authored numerous high-impact publications in journals such as New Journal of Chemistry, Superlattices and Microstructures, Journal of Molecular Structure, and Progress in Reaction Kinetics and Mechanism. Her contributions to SARS-CoV-2 inhibitor modeling and anti-cancer drug discovery have garnered international recognition. In 2025, she was appointed as a Reviewer for the Journal of Molecular Structure, reflecting her stature in the global research community.
🌍 Impact and Influence
Her research has impacted drug development, nanotechnology, and sustainable materials, with practical applications in healthcare, energy, and environmental science. Dr. Abdeldjebar has collaborated with scientists across Europe and Africa, pushing the boundaries of computational modeling and molecular innovation. Her contributions during the pandemic, especially on viral protease inhibition, exemplify science in service of humanity.
🌱 Legacy and Future Contributions
As she continues to bridge the worlds of chemistry, materials science, and biomedicine, Dr. Hasnia Abdeldjebar is poised to leave a lasting legacy. Her future work aims to explore AI-assisted molecular discovery, smart materials, and multi-target drug design, ensuring her contributions continue to benefit society, science, and education.
Publications
📄 Novel Small Molecule Derived from Hydroxy Naphthaldhyde as Potential Anti-Leukemia Agents: Spectroscopic, DFT, Docking Molecular and ADME/T Investigations
Authors: Chafia Ait Ramdane-Terbouche, Hasnia Abdeldjebar, Achour Terbouche, Houria Lakhdari, Khaled Ait Ramdane
Journal: Polycyclic Aromatic Compounds
Year: 2024
📄 Computational Docking Study of Calanolides as Potential Inhibitors of SARS-CoV-2 Main Protease
Author: Hasnia Abdeldjebar
Journal: French-Ukrainian Journal of Chemistry
Year: 2022
📄 Exploring Schiff Base Ligand Inhibitor for Cancer and Neurological Cells, Viruses and Bacteria Receptors by Homology Modeling and Molecular Docking
Author: Hasnia Abdeldjebar
Journal: Computational Toxicology
Year: 2022
📄 Crystal Structure, Hirshfeld Surface and Reactivity of Novel Ligand-L<sub>AT1</sub> Derived from Dehydroacetic Acid: Intermolecular Interactions with SARS-CoV-2/Main Protease
Author: Hasnia Abdeldjebar
Journal: Molecular Crystals and Liquid Crystals
Year: 2021
📄 Crystal Structure, Chemical Reactivity, Kinetic and Thermodynamic Studies of New Ligand Derived from 4-Hydroxycoumarin: Interaction with SARS-CoV-2
Author: Hasnia Abdeldjebar
Journal: Journal of Molecular Structure
Year: 2020