Ossama Daouı

Sidi Mohamed Ben Abdellah University — MA

Computer Science · Physical Sciences

17h-index900citations40works4.12yr avg
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Research Topics

Computational Drug Discovery Methods(27), Synthesis and biological activity(18), Click Chemistry and Applications(6), Cannabis and Cannabinoid Research(4), Essential Oils and Antimicrobial Activity(2)

Publications40 total

Predicting Antiviral Inhibitory Activity of Dihydrophenanthrene Derivatives Using Image-Derived 3D Discrete Tchebichef Moments: A Machine Learning-Based QSAR Approach
Biophysica·2025Open Access
Molecular Insights into Antimicrobial Triazole Compounds: A Synergistic 2D‐QSAR, DFT, and POM Approach
ChemistrySelect·2025· 2 cited
Discovery of new small molecules inhibitors for EphB4 receptor tyrosine kinase with a fragment-based drug design approach
Turkish computational and theoretical chemistry/Turkish computational and theoretical chemistry :·2024· 1 citedOpen Access
In Silico Design of Novel Piperazine-Based mTORC1 Inhibitors Through DFT, QSAR and ADME Investigations
Biophysica·2024· 2 citedOpen Access
Conception de médicaments assistée par ordinateur : Applications anticancéreuses et antivirales
SPIRE - Sciences Po Institutional REpository·2024
Computational Studies of Cannabis Derivatives as Potential Inhibitors of SARS-CoV-2 Mpro
Chemistry Africa·2024· 7 cited
Design of new molecules against cervical cancer using DFT, theoretical spectroscopy, 2D/3D-QSAR, molecular docking, pharmacophore and ADMET investigations
Heliyon·2024· 14 citedOpen Access
Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach
Molecules·2024· 4 citedOpen Access
Design of new small molecules derived from indolin-2-one as potent TRKs inhibitors using a computer-aided drug design approach
Journal of Biomolecular Structure and Dynamics·2024· 6 cited
An antibacterial lead identification of novel 1,3,4-oxadiazole derivatives based on molecular computer aided design approaches
Scientific African·2024· 1 citedOpen Access
Identification and <i>in silico</i> screening of natural phloroglucinols as potential PI3Kα inhibitors: A computational approach for drug discovery
Open Chemistry·2024· 8 citedOpen Access
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
Scientific African·2023· 7 citedOpen Access
Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors
Natural Product Research·2023· 18 citedOpen Access
Evaluation of dimedone-derived compounds as inhibitors against human colon cancer: Insights from 2D-QSAR, ADMET prediction, Osiris, Molinspiration, and molecular modeling
Chinese Journal of Analytical Chemistry·2023· 18 citedOpen Access
WITHDRAWN: Computational Study on Benzofuran Derivatives as Potent Lysine-Specific Demethylase 1 Inhibitors using 3D QSAR, ADMET Prediction, and Molecular Docking
Letters in Drug Design & Discovery·2023
Future anti-Sleep Disorders agents: In silico virtual screening, Drug likness, ADMET and molecular docking and dynamics
Research Square (Research Square)·2023· 1 citedOpen Access
Structure‐Based Virtual Screening, ADMET analysis, and Molecular Dynamics Simulation of Moroccan Natural Compounds as Candidates α‐Amylase Inhibitors
ChemistrySelect·2023· 43 citedOpen Access
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
Chemical Data Collections·2023· 15 cited
Exploration of Cannabis constituents as potential candidates against diabetes mellitus disease using molecular docking, dynamics simulations and ADMET investigations
Scientific African·2023· 52 citedOpen Access
Repositioning Cannabinoids and Terpenes as Novel EGFR-TKIs Candidates for Targeted Therapy Against Cancer: A virtual screening model using CADD and biophysical simulations
Heliyon·2023· 22 citedOpen Access
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Frequent Co-authors

Samir Chtita(37), Souad Elkhattabi(34), Khaoula Mkhayar(12), Rachid Haloui(10), Oussama Abchır(9), Hassan Nour(8), Salah Belaıdı(6), Mohamed Bakhouch(6), Abdelkbir Errougui(5), Kaouakeb Elkhattabi(5), Mhammed El Kouali(5), Mohamed El Yazidi(4), Rachida Elkhalabi(3), Mebarka Ouassaf(3), Imane Yamari(3), Souad El Khattabi(3), Mohammed Talbi(3), Amal Haoudi(3), Farhan Siddique(3), Hsaine Zgou(2)