R. Djebaïli

K-means clustering analysis, ADME/pharmacokinetic prediction, MEP, and molecular docking studies of potential cytotoxic agents

Ahlem Belkadi, Samir Kenouche, Nadjib Melkemi et al. · Structural Chemistry · 2021 · 22 citations

Medicinal Chemistry, Potential Cytotoxic Agents, Medicine +9

High regioselectivity in the amination reaction of isoquinolinequinone derivatives using conceptual DFT and NCI analysis

Samir Kenouche, Ahlem Belkadi, R. Djebaïli et al. · Journal of Molecular Graphics and Modelling · 2020 · 18 citations

Derivative (Chemistry), High Regioselectivity, Conceptual Dft +8

Structural, electronic, vibrational, optical and thermodynamic properties of 3-Oxo-3- p -tolylpropylphosphonic acid and 4-Oxo-4-p-tolyl-butyric acid: Density functional theory study

Abdelkader Hellal, R. Djebaïli, Samia Zaout et al. · Journal of Molecular Structure · 2018 · 16 citations

Materials Science, Engineering, Physicochemical Analysis +7

Effect of the phosphonomethylene moiety on the structural, vibrational, energetic, thermodynamic and optical proprieties of ((Phenylcarbamoylmethyl-phosphonomethyl-amino)-methyl)-phosphonic acid: DFT investigation

Imene Kirouani, Abdelkader Hellal, Ines Haddadi et al. · Journal of Molecular Structure · 2020 · 11 citations

Investigation of [3H]diazepam derivatives as allosteric modulators of GABAA receptor α1β2γ2 subtypes: combination of molecular docking/dynamic simulations, pharmacokinetics/drug-likeness prediction, and QSAR analysis

R. Djebaïli, Samir Kenouche, Ismail Daoud et al. · Structural Chemistry · 2022 · 10 citations · Full text