Investigation on NMR Relaxivity of Nano-Sized Cyano-Bridged Coordination Polymers

Marine Perrier, Samir Kenouche, Jérôme Long, +10

Inorganic Chemistry

Materials ScienceNanoparticlesPolymer ChemistryNanomedicineEngineering +12

The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations

Samir Kenouche, Claudia Sandoval-Yáñez, Jorge I. Martínez‐Araya

Chemical Physics Letters

BiochemistryMolecular ElectrochemistryBioelectrochemistrySpectroelectrochemistryDft Calculations +5

QSAR modeling, docking, ADME and reactivity of indazole derivatives as antagonizes of estrogen receptor alpha (ER-α) positive in breast cancer

Afaf Zekri, Dalal Harkati, Samir Kenouche, +1

Journal of Molecular Structure

Molecular PharmacologyMedicinal ChemistryBreast OncologyQsar ModelingMedicine +11

NMR investigation of functionalized magnetic nanoparticles Fe3O4 as T1–T2 contrast agents

Samir Kenouche, Joulia Larionova≠, Nacer Bezzi, +8

Powder Technology

NanoparticlesMagnetismFerromagnetismNmr InvestigationEngineering +12

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

Ahlem Belkadi, Samir Kenouche, Nadjib Melkemi, +2

Structural Chemistry

Medicinal ChemistryPotential Cytotoxic AgentsMedicineBioanalysisPharmacology +7

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

Samir Kenouche, Ahlem Belkadi, R. Djebaïli, +1

Journal of Molecular Graphics and Modelling

Derivative (Chemistry)High RegioselectivityConceptual DftOrganic ChemistryStereoselective Synthesis +6

Molecular docking/dynamics simulations, MEP analysis, bioisosteric replacement and ADME/T prediction for identification of dual targets inhibitors of Parkinson’s disease with novel scaffold

Merzaka Mettai, Ismail Daoud, Fouzia Mesli, +4

In Silico Pharmacology

Molecular DockingDrug TargetEngineeringMep AnalysisMedicine +8

In vivo quantitative NMR imaging of fruit tissues during growth using Spoiled Gradient Echo sequence

Samir Kenouche, Marine Perrier, Nadia Bertin, +10

Magnetic Resonance Imaging

Tissue ImagingEngineeringMedical ImagingFruit TissuesNovel Imaging Method +7

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, +3

Structural Chemistry