Search Results - "Er-Rajy, Mohammed"

Organic–inorganic hybrid phosphites (C2H10N2)[M(H2PO3)2Cl2] (M = Ni, Mn) for corrosion protection: Experimental and computational approaches.

Authors: Zerrouk, Mohammed Er-Rajy, Mohammed Ech-Chihbi, Elhachmia et al.

Source: Bulletin of Materials Science. Sep2026, Vol. 49 Issue 3, p1-13. 13p.

Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer's disease.

Authors: El Fadili, Mohamed Er-rajy, Mohammed Mujwar, Somdutt et al.

Source: PLoS ONE. 3/5/2026, Vol. 21 Issue 3, p1-22. 22p.

Computational Analysis of Triazolone-Based Dyes in DSSCs: Exploring Acceptor Terminal for Enhanced Photovoltaic Performance.

Authors: Etabti, Hanane Er-rajy, Mohammed Fitri, Asmae et al.

Source: Journal of Fluorescence. Oct2025, Vol. 35 Issue 10, p9333-9357. 25p.

Design and evaluation of novel triazole derivatives as potential anti-gout inhibitors: a comprehensive molecular modeling study.

Authors: Er-rajy, Mohammed El fadili, Mohamed Zarougui, Sara et al.

Source: Frontiers in Chemistry. 2025, p1-20. 20p.

3D computer modeling of inhibitors targeting the MCF-7 breast cancer cell line.

Authors: Zarougui, Sara Er-Rajy, Mohammed Faris, Abdelmoujoud et al.

Source: Frontiers in Chemistry. 2024, p01-18. 18p.

QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme.

Authors: Er-rajy, Mohammed Fadili, Mohamed El Mujwar, Somdutt et al.

Source: Structural Chemistry. Aug2023, Vol. 34 Issue 4, p1527-1543. 17p.

3D-QSAR Studies, Molecular Docking, Molecular Dynamic Simulation, and ADMET Proprieties of Novel Pteridinone Derivatives as PLK1 Inhibitors for the Treatment of Prostate Cancer.

Authors: Er-rajy, Mohammed El fadili, Mohamed Imtara, Hamada et al.

Source: Life (2075-1729). Jan2023, Vol. 13 Issue 1, p127. 15p.

QSAR, ADMET In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Studies of Novel Bicyclo (Aryl Methyl) Benzamides as Potent GlyT1 Inhibitors for the Treatment of Schizophrenia.

Authors: El fadili, Mohamed Er-Rajy, Mohammed Kara, Mohammed et al.

Source: Pharmaceuticals (14248247). Jun2022, Vol. 15 Issue 6, p670-N.PAG. 22p.

2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives.

Authors: Er-rajy, Mohammed El Fadili, Mohamed Hadni, Hanine et al.

Source: Structural Chemistry. Jun2022, Vol. 33 Issue 3, p973-986. 14p.

Gas Chromatography-Mass Spectrometry Profiling, Antioxidant and Antibacterial Evaluations of Essential Oils Extracted from Mentha piperita and Mentha pulegium.

Authors: El maimouni, Mohamed Amine El amrani, Soukaina Lairini, Sanae et al.

Source: Tropical Journal of Natural Product Research; Dec2024, Vol. 8 Issue 12, p9386-9398, 13p

Regioselective synthesis of novel spiro-isoxazolines congeners as antimicrobial agents: in vitro and in-silico assessments.

Authors: Bouzammit, Rachid Ait Assou, Soumia Er-Rajy, Mohammed et al.

Source: Frontiers in Chemistry. 2026, p1-18. 18p.

Synthesis, crystal structure elucidation, Hirshfeld surface analysis, and computational studies of a novel phosphite [Na2Zn(HPO3)2 3H2O].

Authors: Zerrouk, Mohammed Er-rajy, Mohammed Poupon, Morgane et al.

Source: Journal of Molecular Structure. Oct2026, Vol. 1373, pN.PAG-N.PAG. 1p.

Subjects: Crystal structure, Density functional theory, Intermolecular interactions, Phosphites, X-ray diffraction, Thermal analysis

In silico design of novel dihydropteridone derivatives with oxadiazoles as potent inhibitors of MCF-7 breast cancer cells.

Authors: Aloui, Mourad El fadili, Mohamed Er-rajy, Mohammed et al.

Source: Frontiers in Chemistry. 2025, p1-21. 21p.

DFT computation-assisted design and synthesis of trisodium nickel triphosphate: Crystal structure, vibrational study, electronic properties and application in wastewater purification.

Authors: Zerrouk, Mohammed Er-rajy, Mohammed Azzaoui, Khalil et al.

Source: Journal of Molecular Structure. May2025, Vol. 1329, pN.PAG-N.PAG. 1p.

Subjects: Electronic density of states, Differential thermal analysis, Wet chemistry, Molecular shapes, Electronic band structure

Natural Solutions to Environmental Degradation: Antioxidant and Anticorrosive Activities of Mentha pulegium L. Essential Oil.

Authors: Rached, Sara Mzioud, Khaoula Rehioui, Malak et al.

Source: Chemistry (2624-8549). Apr2026, Vol. 8 Issue 4, p53. 23p.

In silico design of novel pyridazine derivatives as balanced multifunctional agents against Alzheimer's disease.

Authors: Aloui, Mourad El fadili, Mohamed Mujwar, Somdutt et al.

Source: Scientific Reports. 5/7/2025, Vol. 15 Issue 1, p1-27. 27p.

Synthesis, single-crystal X-ray elucidation and integrated theoretical investigation of a novel chromone derivative: insights into antibacterial activity and corrosion inhibition.

Authors: Bouzammit, Rachid Omari Alaoui, Aymane Er-rajy, Mohammed et al.

Source: Journal of Molecular Structure. Sep2026, Vol. 1369, pN.PAG-N.PAG. 1p.

Subjects: Antibacterial agents, Corrosion inhibitors, Chromones, X-ray diffraction, Adsorption (Chemistry), Electrochemical analysis, Molecular docking, Density functionals

Synthesis, structural characterization, DFT computation, and anticorrosive behavior of ethylenediammonium dichloridobis(dihydrogenphosphito)cobaltate(II) on C38 steel in a 1M-HCl solution.

Authors: Zerrouk, Mohammed Ech-chihbi, Elhachmia Er-rajy, Mohammed et al.

Source: Inorganic Chemistry Communications. Jun2025, Vol. 176, pN.PAG-N.PAG. 1p.

Subjects: Molecular structure, Molecular orbitals, Infrared spectroscopy, Density functional theory, Electric potential

Discovering the corrosion resistance of mild steel using chromone derivatives as corrosion inhibitors to reduce the environmental impacts.

Authors: Salim, Rajae Bouzammit, Rachid Ech-chihbi, Elhachmia et al.

Source: Journal of Molecular Liquids. Aug2026, Vol. 456, pN.PAG-N.PAG. 1p.

Chromone-isoxazole derivatives as corrosion inhibitors for mild steel in 1 M HCl solution: Experimental, DFT and DFTB approaches.

Authors: Ech-chihbi, Elhachmia Bouzammit, Rachid Salim, Rajae et al.

Source: Colloids & Surfaces A: Physicochemical & Engineering Aspects. Sep2025, Vol. 720, pN.PAG-N.PAG. 1p.