Home › Researcher directory › Ossama Daouı
Ossama Daouı
Affiliation : Sidi Mohamed Ben Abdellah University
- 39Publications (affiliation in Morocco)
- 44Total publications
- 1023Citations
- 19h-index
Research profile
Ossama Daouı has 39 indexed publications (2021–2026). Their work appears mainly in “Heliyon”, “Journal of Biomolecular Structure and Dynamics” and “Scientific African”. Their most cited article, “QSAR, molecular docking and ADMET properties in silico studies of novel 4,5,6,7-tetrahydrobenzo[D]-thiazol-2-Yl derivatives derived from dim” (2021), has been cited 131 times. 11 of these publications date from the last three years of activity. Their work is co-authored with at least 12 researchers.
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Create my free profile Add my publicationsResearch areas
- Computational Drug Discovery Methods
- Synthesis and Characterization of Heterocyclic Compounds
- Synthesis and biological activity
- Cholinesterase and Neurodegenerative Diseases
- SARS-CoV-2 and COVID-19 Research
Publications (39)
- Cannabis as a source of novel therapeutics: A computational study combining LBDD and structure-based docking/dynamics to identify novel drug-like compounds for colorectal cancer
- Molecular Insights into Antimicrobial Triazole Compounds: A Synergistic 2D‐QSAR, DFT, and POM Approach
- Predicting Antiviral Inhibitory Activity of Dihydrophenanthrene Derivatives Using Image-Derived 3D Discrete Tchebichef Moments: A Machine Learning-Based QSAR Approach
- Design of new molecules against cervical cancer using DFT, theoretical spectroscopy, 2D/3D-QSAR, molecular docking, pharmacophore and ADMET investigations
- Computational Studies of Cannabis Derivatives as Potential Inhibitors of SARS-CoV-2 Mpro
- Identification and in silico screening of natural phloroglucinols as potential PI3Kα inhibitors: A computational approach for drug discovery
- Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach
- Design of new small molecules derived from indolin-2-one as potent TRKs inhibitors using a computer-aided drug design approach
- Discovery of new small molecules inhibitors for EphB4 receptor tyrosine kinase with a fragment-based drug design approach
- An antibacterial lead identification of novel 1,3,4-oxadiazole derivatives based on molecular computer aided design approaches
- In Silico Design of Novel Piperazine-Based mTORC1 Inhibitors Through DFT, QSAR and ADME Investigations
- Exploration of Cannabis constituents as potential candidates against diabetes mellitus disease using molecular docking, dynamics simulations and ADMET investigations
- Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach
- Structure‐Based Virtual Screening, ADMET analysis, and Molecular Dynamics Simulation of Moroccan Natural Compounds as Candidates α‐Amylase Inhibitors
- Repositioning Cannabinoids and Terpenes as Novel EGFR-TKIs Candidates for Targeted Therapy Against Cancer: A virtual screening model using CADD and biophysical simulations
- Evaluation of dimedone-derived compounds as inhibitors against human colon cancer: Insights from 2D-QSAR, ADMET prediction, Osiris, Molinspiration, and molecular modeling
- Study of the competition between Pi and Cr (VI) for the use of Pi-transporter at Vicia faba L. using molecular modeling
- Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors
- In silico studies of 2-aryloxy-1,4- naphthoquinone derivatives as antibacterial agents against Escherichia coli using 3D-QSAR, ADMET properties, molecular docking, and molecular dynamics
- Design of novel small molecules derived from styrylpyridine as potent HDAC1 inhibitors for the treatment of gastric cancer using 3D-QSAR, drug similarity, ADMET prediction, molecular docking, and molecular dynamics studies
- WITHDRAWN: Computational Study on Benzofuran Derivatives as Potent Lysine-Specific Demethylase 1 Inhibitors using 3D QSAR, ADMET Prediction, and Molecular Docking
- Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies
- Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of liquiritigenin derivatives
- A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations
- 3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents
- Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CLpro enzyme for COVID-19 therapy: a computer-aided drug design approach
- Rational design of novel pyridine-based drugs candidates for lymphoma therapy
- A strategy to enhance V OC of π-conjugated molecules based on thieno[2,3- b ] indole for applications in bulk heterojunction organic solar cells using DFT, TD-DFT, and 3D-QSPR modeling studies
- Design and Prediction of ADME/Tox Properties of Novel Magnolol Derivatives as Anticancer Agents for NSCLC Using 3D-QSAR, Molecular Docking, MOLCAD and MM-GBSA Studies
- Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors
- 3D-QSAR, drug-likeness, ADMET prediction, and molecular docking studies in silico of novel 5-oxo-1-thioxo-4,5-dihydro-1H-thiazolo[3,4-a]quinazoline derivatives as MALT1 protease inhibitors for the treatment of B cell lymphoma
- Physiological and molecular modeling investigations of the relationship between sulfate and chromium VI uptake in Vicia faba L.
- TARGETING THE MAIN PROTEASE AND THE SPIKE PROTEIN OF SARS-COV-2 WITH NATURALLY OCCURRING COMPOUNDS FROM SOME CAMEROONIAN MEDICINAL PLANTS: AN IN-SILICO STUDY FOR DRUG DESIGNING
- QSAR and DFT Studies of Some Tacrine-Hydroxamate Derivatives as Inhibitors of Cholinesterase (AChEs) in the Treatment of Alzheimer's Disease
- In silico molecular investigations of derived cyclohexane-1,3-dione compounds as potential inhibitors of protein tyrosine kinase C-met: 2D QSAR, molecular docking and ADMET
- Identification of New Anti-SARS CoV-2 Agents through theVirtual Screening of Phytoconstituents Extracted from Moroccan Plants
- Design of New Derivatives of Dimedone Molecules Using QSAR and Docking Molecular
- QSAR, molecular docking and ADMET properties in silico studies of novel 4,5,6,7-tetrahydrobenzo[D]-thiazol-2-Yl derivatives derived from dimedone as potent anti-tumor agents through inhibition of C-Met receptor tyrosine kinase
- Design, synthesis, characterization, in vitro screening, molecular docking, 3D-QSAR, and ADME-Tox investigations of novel pyrazole derivatives as antimicrobial agents
Publication venues
- Heliyon × 4
- Journal of Biomolecular Structure and Dynamics × 3
- Scientific African × 3
- Letters in Drug Design & Discovery × 3
- ChemistrySelect × 2
- Biophysica × 2
Publications per year
- 20261
- 20252
- 20248
- 202310
- 202216
- 20212
Collaborations
Partner institutions : University of Hassan II Casablanca · Chouaib Doukkali University · Mohammed V University · Université Ibn Zohr · Cadi Ayyad University
Co-authors
- Souad Elkhattabi
- Samir Chtita
- Khaoula Mkhayar
- Oussama Abchır
- Rachid Haloui
- Hassan Nour
- Mohamed Bakhouch
- Kaouakeb Elkhattabi
- Mohammed Talbi
- Abdelkbir Errougui
- Mhammed El Kouali
- Mohamed El Yazidi
Bibliographic data from OpenAlex (open database).
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