关注
Souad EL KHATTABI
Souad EL KHATTABI
Professeur de chimie-physique, Université Sidi Mohammed Ben Abdellah
在 usmba.ac.ma 的电子邮件经过验证
标题
引用次数
引用次数
年份
QSAR, molecular docking and ADMET properties in silico studies of novel 4, 5, 6, 7-tetrahydrobenzo [D]-thiazol-2-Yl derivatives derived from dimedone as potent anti-tumor …
O Daoui, S Elkhattabi, S Chtita, R Elkhalabi, H Zgou, AT Benjelloun
Heliyon 7 (7), 2021
742021
Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies
O Abchir, O Daoui, S Belaidi, M Ouassaf, FA Qais, S ElKhattabi, ...
Journal of Molecular Modeling 28 (4), 106, 2022
482022
Effects of electron acceptor groups on triphenylamine-based dyes for dye-sensitized solar cells: Theoretical investigation
A Slimi, M Hachi, A Fitri, AT Benjelloun, S Elkhattabi, M Benzakour, ...
Journal of Photochemistry and Photobiology A: Chemistry 398, 112572, 2020
462020
New small organic molecules based on thieno [2, 3-b] indole for efficient bulk heterojunction organic solar cells: a computational study
M Hachi, A Slimi, A Fitri, S ElKhattabi, AT Benjelloun, M Benzakour, ...
Molecular Physics 118 (8), e1662956, 2020
412020
Design, synthesis, characterization, in vitro screening, molecular docking, 3D-QSAR, and ADME-Tox investigations of novel pyrazole derivatives as antimicrobial agents
M Chalkha, M Akhazzane, FZ Moussaid, O Daoui, A Nakkabi, ...
New Journal of Chemistry 46 (6), 2747-2760, 2022
392022
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 …
O Daoui, H Nour, O Abchir, S Elkhattabi, M Bakhouch, S Chtita
Journal of Biomolecular Structure and Dynamics 41 (16), 7768-7785, 2023
372023
3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents
O Daoui, N Mazoir, M Bakhouch, M Salah, A Benharref, ...
Structural Chemistry 33 (4), 1063-1084, 2022
372022
Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of liquiritigenin derivatives
H Nour, O Daoui, O Abchir, S ElKhattabi, S Belaidi, S Chtita
Heliyon 8 (12), 2022
342022
Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CLpro enzyme for COVID-19 therapy: a computer …
O Daoui, S Elkhattabi, S Chtita
Structural chemistry 33 (5), 1667-1690, 2022
282022
Molecular Design of D-π-A-A Organic Dyes Based on Triphenylamine Derivatives with Various Auxiliary Acceptors for High Performance DSSCs
A Slimi, A Fitri, A Touimi Benjelloun, S Elkhattabi, M Benzakour, M Mcharfi, ...
Journal of Electronic Materials 48, 4452-4462, 2019
252019
Theoretical study of the effects of modifying the structures of organic dyes based on N,N-alkylamine on their efficiencies as DSSC sensitizers
S ElKhattabi, M Hachi, A Fitri, AT Benjelloun, M Benzakour, M Mcharfi, ...
Journal of molecular modeling 25, 1-9, 2019
252019
DFT and TD-DFT studies of the π-bridge influence on the photovoltaic properties of dyes based on thieno [2, 3-b] indole
M Hachi, S El Khattabi, A Fitri, AT Benjelloun, M Benzakour, M Mcharfi, ...
J. Mater. Environ. Sci 9 (4), 1200-1211, 2018
242018
On the electronic structure and spectroscopy of the ScN molecule
A Daoudi, S Elkhattabi, G Berthier, JP Flament
Chemical physics 230 (1), 31-44, 1998
241998
Exploration of Cannabis constituents as potential candidates against diabetes mellitus disease using molecular docking, dynamics simulations and ADMET investigations
O Abchir, O Daoui, H Nour, I Yamari, S Elkhattabi, A Errougui, S Chtita
Scientific African 21, e01745, 2023
222023
Cyclohexane-1, 3-dione derivatives as future therapeutic agents for NSCLC: QSAR modeling, in silico ADME-Tox properties, and structure-based drug designing approach
O Daoui, S Elkhattabi, M Bakhouch, S Belaidi, RR Bhandare, AB Shaik, ...
ACS omega 8 (4), 4294-4319, 2023
222023
Rational design of novel pyridine-based drugs candidates for lymphoma therapy
O Daoui, S Elkhattabi, S Chtita
Journal of Molecular Structure 1270, 133964, 2022
222022
Coumarin-based D–π–A dyes for efficient DSSCs: DFT and TD-DFT study of the π-spacers influence on photovoltaic properties
M Souilah, M Hachi, A Fitri, AT Benjelloun, S El Khattabi, M Benzakour, ...
Research on Chemical Intermediates 47 (2), 875-893, 2021
212021
Design and prediction of ADME/Tox properties of novel magnolol derivatives as anticancer agents for NSCLC using 3D-QSAR, molecular docking, MOLCAD and MM-GBSA studies
O Daoui, S Elkhattabi, S Chtita
Letters in Drug Design & Discovery 20 (5), 545-569, 2023
192023
DFT, DFTB and TD-DFT theoretical investigations of π-conjugated molecules based on thieno [2, 3-b] indole for dye-sensitized solar cell applications
R El Mouhi, A Slimi, A Fitri, AT Benjelloun, S ElKhattabi, M Benzakour, ...
Physica B: Condensed Matter 636, 413850, 2022
192022
Structure‐based Virtual Screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates α‐amylase inhibitors
O Abchir, I Yamari, H Nour, O Daoui, S ElKhattabi, A Errougui, S Chtita
ChemistrySelect 8 (26), e202301092, 2023
162023
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