Accueil › Annuaire des chercheurs › Ossama Daouı
Ossama Daouı
Affiliation : Sidi Mohamed Ben Abdellah University
- 39Publications (affiliation marocaine)
- 44Publications au total
- 1023Citations
- 19Indice h
Profil de recherche
Ossama Daouı compte 39 publications référencées (2021–2026). Ses travaux paraissent principalement dans « Heliyon », « Journal of Biomolecular Structure and Dynamics » et « Scientific African ». Son article le plus cité, « 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), a été cité 131 fois. 11 de ces publications datent des trois dernières années d’activité. Ses travaux sont cosignés avec au moins 12 chercheurs.
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Créer mon profil gratuit Ajouter mes publicationsDomaines de recherche
- 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
Revues de publication
- Heliyon × 4
- Journal of Biomolecular Structure and Dynamics × 3
- Scientific African × 3
- Letters in Drug Design & Discovery × 3
- ChemistrySelect × 2
- Biophysica × 2
Publications par année
- 20261
- 20252
- 20248
- 202310
- 202216
- 20212
Collaborations
Établissements partenaires : University of Hassan II Casablanca · Chouaib Doukkali University · Mohammed V University · Université Ibn Zohr · Cadi Ayyad University
Co-auteurs
- 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
Données bibliographiques issues d’OpenAlex (base ouverte).
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