Abdellah Ousaa

Université Ibn Zohr — MA

Computer Science · Physical Sciences

10h-index341citations30works2.32yr avg
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Research Topics

Computational Drug Discovery Methods(17), Synthesis and biological activity(14), Synthesis and Characterization of Heterocyclic Compounds(5), Research on Leishmaniasis Studies(3), Click Chemistry and Applications(3)

Publications30 total

High-efficiency AB113 dye removal using calcined CuMgAl-LDH: memory effect and CCD-RSM optimization
Inorganic Chemistry Communications·2025· 1 cited
Modeling and optimization of methylene blue adsorption from aqueous media via natural clay: Response surface methodology, artificial neural network, and Monte Carlo molecular studies
Desalination and Water Treatment·2025· 1 citedOpen Access
Optimized removal of hexavalent chromium and Acid Blue 113 using functional magnetic nanoparticle/clay nanocomposites: Equilibrium study and statistical physics insights
Journal of Water Process Engineering·2025· 7 cited
Investigating the Chemical Diversity of Herg Inhibitors Using Cheminformatics and Machine Learning
Journal of Computational Biophysics and Chemistry·2025
Experimental investigation, kinetics and statistical modeling of methylene blue removal onto Clay@Fe3O4: Batch, fixed bed column adsorption and photo-Fenton degradation studies
Case Studies in Chemical and Environmental Engineering·2023· 32 citedOpen Access
Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation
Journal of Biomolecular Structure and Dynamics·2020· 55 citedOpen Access
QSAR study of <i>N</i>-substituted oseltamivir derivatives as potent avian influenza virus H5N1 inhibitors using quantum chemical descriptors and statistical methods
New Journal of Chemistry·2019· 41 cited
QSAR and docking studies on the pyrimidine derivatives analogs with antileishmanial activity
RHAZES: Green and Applied Chemistry·2019· 1 citedOpen Access
QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors
Heliyon·2019· 40 citedOpen Access
QSAR Study of (5-Nitroheteroaryl-1,3,4-thiadiazole-2- yl)piperazinyl Derivatives to Predict New Similar Compounds as Antileishmanial Agents
Chemical Science Transactions·2019Open Access
In silico analysis of 3D-QSAR and molecular docking results to design new 1,2,4-triazoles as antibacterial agents
RHAZES: Green and Applied Chemistry·2018Open Access
Molecular Docking and 3D-QSAR Studies on 7-azaindole Derivatives as Inhibitors of Trk A: A Strategic Design in Novel Anticancer Agents
Letters in Drug Design & Discovery·2018· 6 cited
QSAR Study of (5-Nitroheteroaryl-1,3,4-Thiadiazole-2-yl) Piperazinyl Derivatives to Predict New Similar Compounds as Antileishmanial Agents
Advances in Physical Chemistry·2018· 3 citedOpen Access
Investigation of indirubin derivatives: a combination of 3D-QSAR, molecular docking, and ADMET towards the design of new DRAK2 inhibitors
Structural Chemistry·2018· 14 cited
Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation
Chemical Papers·2018· 6 cited
Quantitative Structure–Activity Relationship (QSAR) Studies of Some Glutamine Analogues for Possible Anticancer Activity
International Journal of Scientific Research in Environmental Science and Toxicology·2018· 1 citedOpen Access
Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists
In Silico Pharmacology·2018· 12 citedOpen Access
QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors
Chemistry Central Journal·2018· 10 citedOpen Access
3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase
Computational Biology and Chemistry·2018· 21 cited
Furanone derivatives as new inhibitors of CDC7 kinase: development of structure activity relationship model using 3D QSAR, molecular docking, and in silico ADMET
Structural Chemistry·2018· 34 cited
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Frequent Co-authors

Mohammed Bouachrıne(23), Tahar Lakhlifi(23), Mounir Ghamali(21), Samir Chtita(20), Adnane Aouidate(15), B. Elidrissi(13), Adib Ghaleb(10), Abdelouahid Sbai(9), M’barek Choukrad(8), Abdelali Aboussabek(4), Mohamed Zerbet(4), Mohamed Chiban(4), Mohammed Aziz Ajana(4), Latifa Boukarma(3), Mohammed Aarjane(2), Assia Belhassan(2), Abdelali Idrissi Taourati(2), Saadia El Qdhy(2), Rachid Aziam(2), Ajana MA(2)