- Ahlem Belkadi, Samir Kenouche, Nadjib Melkemi, Ismail Daoud, Rachida Djebaili, Molecular docking/dynamic simulations, MEP, ADME‑TOX‑based analysis of xanthone derivatives as CHK1 inhibitors, Structural Chemistry., 2022
- Rachida
Djebaili, Nadjib Melkemi, Samir Kenouche, Ismail Daoud, Mohammed Bouachrine,
Halima Hazhazi, and Toufik Salah, Combined
Conceptual-DFT, Quantitative MEP Analysis, and Molecular Docking Study of
Benzodiazepine Analogs, Orbital: Electron. J. Chem. 13(2021)4., 2021
- Ismail
Daoud, Fouzia Mesli, Nadjib Melkemi, Said Ghalem et Toufik Salah, Discovery
of potential SARS-CoV 3CL protease inhibitors from approved antiviral drugs using:
virtual screening, molecular docking, pharmacophore mapping evaluation and dynamics
simulation, Journal of Biomolecular Structure and Dynamics, 39, 2021
- Ahlem
Belkadi, Samir Kenouche, Nadjib Melkemi, Ismail Daoud and Rachida
Djebaili, K-means clustering analysis, ADME/pharmacokinetic prediction, MEP,
and molecular docking studies of potential cytotoxic agents, Structural
Chemistry. , 2021
- S. Kenouche, A. Belkadi,
R. Djebaili, N. Melkemi, High regioselectivity in the amination reaction
of isoquinolinequinone derivatives using conceptual DFT and NCI analysis,
Journal of Molecular Graphics and Modelling, 104 (2021) 107828, 2021
- Faiza Lehraki, Nadjib Melkemi, Solvent effect on the Molecular
structure and Global, Local and Dual Descriptors: A Density Functional Theory
Study, Asian
J. Research Chem.,14(2021)5, 2021
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Almi, N. Melkemi, T. Salah, I. Daoud, Pharmacophore Searching, Virtual
Screening and Molecular Docking for the Discovery of Novel Cytotoxic Agents
Targeting Human Glutathione-STransferases, PhytoChem &BioSub Journal Vol.
14(3)., 2020
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Hazhazi, N. Melkemi, T. Salah, M. Bouachrine, DFT-based reactivity and
combined QSAR, molecular docking of 1,2,4,5-Tetrazine derivatives as inhibitors
of Pim-1 kinase, Heliyon, 5 e02451, 2019
- I. Daoud, N. Melkemi, T. Salah, S. Ghalem, Combined QSAR,
molecular docking and molecular dynamics study on new
Acetylcholinesterase and Butyrylcholinesterase inhibitors, Computational
Biology and Chemistry, 74, 304-326., 2018
- S.
Kenouche, D. Harkati, M. Ghamri, A.R. Choikaoui, N. Melkemi, Predictive
QSAR model and clustering analysis of some Benzothiazole derivatives as
cytotoxic inhibitors, Journal of Computational Chemistry & Molecular
Modelling, 3(2) 1-10, 2018
