Mounir Ghamali

École Nationale d'Agriculture de Meknès — MA

Computer Science · Physical Sciences

12h-index500citations40works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(29), Synthesis and biological activity(22), Free Radicals and Antioxidants(6), Cancer Mechanisms and Therapy(4), Synthesis and Characterization of Heterocyclic Compounds(4)

Publications40 total

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 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
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
Quantitative structure - toxicity relationship studies of aromatic aldehydes to Tetrahymena pyriformis base d on electronic and topological descriptors
Journal of Materials and Environmental Sciences·2018· 7 citedOpen Access
3D-QSAR Modeling and Molecular Docking Studies on a Series of 1,2,4 Triazole Containing Diarylpyrazolyl Carboxamide as CB1 Cannabinoid Receptor Ligand
International Research Journal of Pure and Applied Chemistry·2017· 2 cited
Study of Pyrimidine-4-carboxamide Derivatives as HIV-1 Integrase Inhibitors Using QSAR and DFT Calculations
International Journal of Quantitative Structure-Property Relationships·2017· 3 cited
QSPR and DFT Studies on the Melting Point of Carbocyclic Nitroaromatic Compounds
Zenodo (CERN European Organization for Nuclear Research)·2017· 1 citedOpen Access
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
Chemistry Central Journal·2017· 5 citedOpen Access
3D-QSAR modeling and molecular docking studies on a series of 2,5 disubstituted 1,3,4-oxadiazoles
Journal of Molecular Structure·2017· 25 cited
Quantitative Structure–Activity Relationship Studies of Anticancer Activity for Isatin (1H-indole-2,3-dione) Derivatives Based on Density Functional Theory
International Journal of Quantitative Structure-Property Relationships·2017· 8 cited
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
Journal of Molecular Structure·2017· 35 cited
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Frequent Co-authors

Tahar Lakhlifi(39), Mohammed Bouachrıne(37), Samir Chtita(36), Abdellah Ousaa(21), Adnane Aouidate(19), B. Elidrissi(14), Adib Ghaleb(14), Abdelouahid Sbai(13), M’barek Choukrad(10), Majdouline Larif(7), Rachid Hmamouchi(7), Azeddine Adad(6), Mohammed Aziz Ajana(4), Assia Belhassan(2), Abdelali Idrissi Taourati(2), Hmamouchi Rachid Mohammed. Bouachrine(2), Vijay H. Masand(1), Mohamed Bourass(1), A. Oussa(1), Ajana MA(1)