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Adib Ghaleb
Affiliation : Cadi Ayyad University
- 36Publications (affiliation in Morocco)
- 42Total publications
- 584Citations
- 13h-index
Research profile
Adib Ghaleb has 36 indexed publications (2016–2026). Their work appears mainly in “Journal of Molecular Structure”, “Journal of Biomolecular Structure and Dynamics” and “Structural Chemistry”. Their most cited article, “Theoretical modeling and experimental studies of Terebinth extracts as green corrosion inhibitor for iron in 3% NaCl medium” (2020), has been cited 81 times. 7 of these publications date from the last three years of activity. Their work is co-authored with at least 12 researchers, including institutions in Spain, China, France.
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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
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Advanced Chemical Physics Studies
Publications (36)
- Novel 1,2,4-triazole–benzimidazole Hybrids as Potential Bioactive Scaffolds: Synthesis, Mechanistic and Molecular Docking Studies
- Synthesis, characterization and machine learning prediction of novel quinolone derivatives
- Synthesis and Characterization of Magnetic Palladium/Carbon as Effective Heterogenous Catalyst for the Transformation of Nitriles Into Amides in Water
- Study of electronic and optical properties of Na 3 OCl anti-perovskite for photovoltaic applications
- Supervised machine learning and molecular docking modeling to identify potential Anti-Parkinson's agents
- Investigating the Chemical Diversity of Herg Inhibitors Using Cheminformatics and Machine Learning
- Synthesis and Evaluation of Antimicrobial Activity of the Rearranged Abietane Prattinin A and Its Synthetic Derivatives
- Chemical Profiling and Biological Properties of Essential Oils of Lavandula stoechas L. Collected from Three Moroccan Sites: In Vitro and In Silico Investigations
- DFT and TD-DFT calculation of new aryl cyanomethylene-quinone mono-oximes-based small molecules for organic photovoltaic
- VALORIZATION OF PERILLALDEHYDE MOLECULE CONTAINED IN THE ESSENTIAL OIL OF Ammodaucus Leucotrichus Coss. FROM THE SAHARAN ZONES OF MOROCCO
- Synthesis, spectroscopic characterization (FT-IR, NMR) and DFT computational studies of new isoxazoline derived from acridone
- Synthesis, biological evaluation, molecular docking and in silico ADMET screening studies of novel isoxazoline derivatives from acridone
- Click Synthesis, Anticancer Activity, and Molecular Docking Investigation of some Functional 1,2,3-triazole Derivatives
- Design, synthesis, DFT calculations, molecular docking and antimicrobial activities of novel cobalt, chromium metal complexes of heterocyclic moiety-based 1,3,4-oxadiazole derivatives
- Theoretical modeling and experimental studies of Terebinth extracts as green corrosion inhibitor for iron in 3% NaCl medium
- 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
- In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening
- In Silico Exploration of Aryl Halides Analogues as CheckpointKinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study,and ADMET Screening
- Furanone derivatives as new inhibitors of CDC7 kinase: development of structure activity relationship model using 3D QSAR, molecular docking, and in silico ADMET
- 3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase
- Investigation of indirubin derivatives: a combination of 3D-QSAR, molecular docking, and ADMET towards the design of new DRAK2 inhibitors
- 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
- QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors
- Molecular Docking and 3D-QSAR Studies on 7-azaindole Derivatives as Inhibitors of Trk A: A Strategic Design in Novel Anticancer Agents
- Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation
- Theoretical Study of Copper Acetonitrile Effects on Parr Functions Indices and Regioselectivity Using Density Functional Theory (DFT)
- 3D QSAR Modeling and Molecular Docking Studies on a Series of Triazole Analogues as Antibacterial Agents
- PREDICTION OF BIOLOGICAL ACTIVITY OF PYRAZOLO [3, 4-B] QUINOLINYL ACITAMIDE BY QSAR RESULTS
- Theoretical Study of 1, 3-Dipolar Cycloadditions Regioselectivity of Benzyl Azide with Glycosyl-O-Acetylene Using Density Functional Theory (DFT)
- In silico analysis of 3D-QSAR and molecular docking results to design new 1,2,4-triazoles as antibacterial agents
- Combined 3D-QSAR and molecular docking study on 7,8-dialkyl-1,3-diaminopyrrolo-[3,2-f] Quinazoline series compounds to understand the binding mechanism of DHFR inhibitors
- 3D-QSAR modeling and molecular docking studies on a series of 2,5 disubstituted 1,3,4-oxadiazoles
- QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity
- 3D-QSAR Modeling and Molecular Docking Studies on a Series of 1,2,4 Triazole Containing Diarylpyrazolyl Carboxamide as CB1 Cannabinoid Receptor Ligand
- Combining DFT and QSAR computation to predict the interaction of flavonoids with the GABA (A) receptor using electronic and topological descriptors
- Combining DFT and QSAR studies for predicting psychotomimetic activity of substituted phenethylamines using statistical methods
Publication venues
- Journal of Molecular Structure × 3
- Journal of Biomolecular Structure and Dynamics × 3
- Structural Chemistry × 2
- Chemistry Central Journal × 2
- RHAZES × 2
- Journal of Taibah University for Science × 2
Publications per year
- 20261
- 20255
- 20241
- 20232
- 20221
- 20214
- 20203
- 20191
- 201812
- 20174
Collaborations
Partner institutions : Université Moulay Ismail de Meknes · Sidi Mohamed Ben Abdellah University · University of Hassan II Casablanca · Université Ibn Zohr · Centre National pour la Recherche Scientifique et Technique (CNRST)
Co-authors’ countries : Spain · China · France
Co-authors
- Adnane Aouidate
- Mohammed Bouachrıne
- Tahar Lakhlifi
- Abdelouahid Sbai
- Mounir Ghamali
- M’barek Choukrad
- Samir Chtita
- Abdellah Ousaa
- Mohammed Aarjane
- Siham Slassi
- Hafid Anane
- Lahoucine Bahsis
Bibliographic data from OpenAlex (open database).
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