Works by Elkhattabi, Souad

Results: 13

Electronic structure and molecular spectroscopic constants of ScN and ScP investigated by several quantum chemistry methods.

Published in:

Molecular Physics, 2003, v. 101, n. 19, p. 2929, doi. 10.1080/00268970310001592773

By:

Daoudi, Abdelali;
Baba, Mohamed Filali;
Elkhattabi, Souad;
Rogemond, François;
Chermette, Henry

Publication type:

Article

Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors.

Published in:

Natural Product Research, 2024, v. 38, n. 24, p. 4347, doi. 10.1080/14786419.2023.2281002

By:

Abchir, Oussama;
Nour, Hassan;
Daoui, Ossama;
Yamari, Imane;
ElKhattabi, Souad;
El Kouali, Mhammed;
Talbi, Mohammed;
Errougui, Abdelkbir;
Chtita, Samir

Publication type:

Article

Structure‐Based Virtual Screening, ADMET analysis, and Molecular Dynamics Simulation of Moroccan Natural Compounds as Candidates α‐Amylase Inhibitors.

Published in:

ChemistrySelect, 2023, v. 8, n. 26, p. 1, doi. 10.1002/slct.202301092

By:

Abchir, Oussama;
Yamari, Imane;
Nour, Hassan;
Daoui, Ossama;
Elkhattabi, Souad;
Errougui, Abdelkbir;
Chtita, Samir

Publication type:

Article

New small organic molecules based on thieno[2,3-b]indole for efficient bulk heterojunction organic solar cells: a computational study.

Published in:

Molecular Physics, 2020, v. 118, n. 8, p. 1, doi. 10.1080/00268976.2019.1662956

By:

Hachi, Mohamed;
Slimi, Ahmed;
Fitri, Asmae;
ElKhattabi, Souad;
Benjelloun, Adil Touimi;
Benzakour, Mohammed;
Mcharfi, Mohammed

Publication type:

Article

Design, Synthesis, and Evaluation of EA-Sulfonamides and Indazole-Sulfonamides as Promising Anticancer Agents: Molecular Docking, ADME Prediction, and Molecular Dynamics Simulations.

Published in:

Chemistry (2624-8549), 2024, v. 6, n. 6, p. 1396, doi. 10.3390/chemistry6060083

By:

Saghdani, Nassima;
El Brahmi, Nabil;
El Abbouchi, Abdelmoula;
Haloui, Rachid;
Elkhattabi, Souad;
Guillaumet, Gérald;
El Kazzouli, Saïd

Publication type:

Article

Molecular Insights into Antimicrobial Triazole Compounds: A Synergistic 2D‐QSAR, DFT, and POM Approach.

Published in:

ChemistrySelect, 2025, v. 10, n. 1, p. 1, doi. 10.1002/slct.202403950

By:

Maymoun, Ghizlan;
Lafridi, Hind;
Lmachraa, Imane;
Zgou, Hsaine;
Oussama, Abchir;
Daoui, Ossama;
Mkhayar, Khaoula;
Elkhattabi, Souad;
Lakbaibi, Zouhair;
Chtita, Samir

Publication type:

Article

Design of New Benzimidazole‐Indazole Derivatives as Potential FLT3 Inhibitors Using 3D‐QSAR, ADMET, Molecular Docking, MM‐GBSA, and Molecular Dynamics Studies.

Published in:

ChemistrySelect, 2024, v. 9, n. 40, p. 1, doi. 10.1002/slct.202402713

By:

Haloui, Rachid;
Ballari, Amine;
Errebbane, Mustapha;
Mkhayar, Khaoula;
ElKhattabi, Kaouakeb;
Abbouchi, Abdelmoula El;
Kazzouli, Saïd El;
Chtita, Samir;
Haoudi, Amal;
Elkhattabi, Souad

Publication type:

Article

Design of new small molecules derived from indolin-2-one as potent TRKs inhibitors using a computer-aided drug design approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2025, v. 43, n. 9, p. 4370, doi. 10.1080/07391102.2024.2302944

By:

Haloui, Rachid;
Mkhayar, Khaoula;
Daoui, Ossama;
El Khattabi, Kaouakeb;
El abbouchi, Abdelmoula;
Chtita, Samir;
Elkhattabi, Souad

Publication type:

Article

A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 16, p. 7768, doi. 10.1080/07391102.2022.2124456

By:

Daoui, Ossama;
Nour, Hassan;
Abchir, Oussama;
Elkhattabi, Souad;
Bakhouch, Mohamed;
Chtita, Samir

Publication type:

Article

Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 16, p. 7712, doi. 10.1080/07391102.2022.2123403

By:

Ouassaf, Mebarka;
Daoui, Ossama;
Alam, Sarfaraz;
Elkhattabi, Souad;
Belaidi, Salah;
Chtita, Samir

Publication type:

Article

Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 4, p. 1, doi. 10.1007/s00894-022-05097-9

By:

Abchir, Oussama;
Daoui, Ossama;
Belaidi, Salah;
Ouassaf, Mebarka;
Qais, Faizan Abul;
ElKhattabi, Souad;
Belaaouad, Said;
Chtita, Samir

Publication type:

Article

Design, Synthesis, Computational Studies, and Anti-Proliferative Evaluation of Novel Ethacrynic Acid Derivatives Containing Nitrogen Heterocycle, Urea, and Thiourea Moieties as Anticancer Agents.

Published in:

Molecules, 2024, v. 29, n. 7, p. 1437, doi. 10.3390/molecules29071437

By:

El Abbouchi, Abdelmoula;
Mkhayar, Khaoula;
Elkhattabi, Souad;
El Brahmi, Nabil;
Hiebel, Marie-Aude;
Bignon, Jérôme;
Guillaumet, Gérald;
Suzenet, Franck;
El Kazzouli, Saïd

Publication type:

Article

Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach.

Published in:

Molecules, 2024, v. 29, n. 2, p. 426, doi. 10.3390/molecules29020426

By:

Mkhayar, Khaoula;
Daoui, Ossama;
Haloui, Rachid;
Elkhattabi, Kaouakeb;
Elabbouchi, Abdelmoula;
Chtita, Samir;
Samadi, Abdelouahid;
Elkhattabi, Souad

Publication type:

Article