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Sara Zarougui

Observed names: Sara ZAROUGUI, Zarougui, Sara
ORCID: 0009-0001-4890-5162
Observed ORCID: 0009-0001-4890-5162
OpenAlex ID: A5010605047
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
2022 · Mohamed El fadili, Mohammed Er-Rajy, et al. · Pharmaceuticals · 81
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3D-QSAR, ADME-Tox In Silico Prediction and Molecular Docking Studies for Modeling the Analgesic Activity against Neuropathic Pain of Novel NR2B-Selective NMDA Receptor Antagonists
2022 · Mohamed El fadili, Mohammed Er-rajy, et al. · Processes · 60
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Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation
2023 · Mohammed Er-rajy, Mohamed El fadili, et al. · Journal of Biomolecular Structure and Dynamics · 58
2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives
2022 · Mohammed Er-rajy, Mohamed El Fadili, et al. · Structural Chemistry · 58
Design of novel anti-cancer agents targeting COX-2 inhibitors based on computational studies
2023 · Mohammed Er-rajy, Mohamed El fadili, et al. · Arabian Journal of Chemistry · 52
QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme
2023 · Mohammed Er-rajy, Mohamed El Fadili, et al. · Structural Chemistry · 47
In-silico screening based on molecular simulations of 3,4-disubstituted pyrrolidine sulfonamides as selective and competitive GlyT1 inhibitors
2023 · Mohamed El fadili, Mohammed Er-rajy, et al. · Arabian Journal of Chemistry · 34
An in-silico investigation based on molecular simulations of novel and potential brain-penetrant GluN2B NMDA receptor antagonists as anti-stroke therapeutic agents
2023 · Mohamed El fadili, Mohammed Er-rajy, et al. · Journal of Biomolecular Structure and Dynamics · 32
3D-QSAR Studies, Molecular Docking, Molecular Dynamic Simulation, and ADMET Proprieties of Novel Pteridinone Derivatives as PLK1 Inhibitors for the Treatment of Prostate Cancer
2023 · Mohammed Er-rajy, Mohamed El fadili, et al. · Life · 29
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QSAR, molecular docking, ADMET properties in silico studies for a series of 7-propanamide benzoxaboroles as potent anti-cancer agents
2022 · Mohammed ER-RAJY, Mohamed EL FADILI, et al. · Chinese Journal of Analytical Chemistry · 28
Design of potential anti-cancer agents as COX-2 inhibitors, using 3D-QSAR modeling, molecular docking, oral bioavailability proprieties, and molecular dynamics simulation
2023 · Mohammed Er-rajy, Mohamed El fadili, et al. · Anti-Cancer Drugs · 25
Design and evaluation of novel triazole derivatives as potential anti-gout inhibitors: a comprehensive molecular modeling study
2025 · Mohammed Er-rajy, Mohamed El fadili, et al. · Frontiers in Chemistry · 24
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QSAR modelling, molecular docking, molecular dynamic and ADMET prediction of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors
2023 · Mourad Aloui, Mohammed Er-rajy, et al. · Saudi Pharmaceutical Journal · 24
In-silico investigations of novel tacrine derivatives potency against Alzheimer's disease
2023 · Mohamed El fadili, Mohammed Er-rajy, et al. · Scientific African · 18
Design of novel potent selective survivin inhibitors using 2D-QSAR modeling, molecular docking, molecular dynamics, and ADMET properties of new MX-106 hydroxyquinoline scaffold derivatives
2024 · Mourad Aloui, Mohamed El fadili, et al. · Heliyon · 17
QSAR, DFT studies, docking molecular and simulation dynamic molecular of 2-styrylquinoline derivatives through their anticancer activity
2023 · Sara Zarougui, Mohammed Er-rajy, et al. · Journal of Saudi Chemical Society · 13
3D computer modeling of inhibitors targeting the MCF-7 breast cancer cell line
2024 · Sara Zarougui, Mohammed Er-Rajy, et al. · Frontiers in Chemistry · 12
In silico design of novel pyridazine derivatives as balanced multifunctional agents against Alzheimer’s disease
2025 · Mourad Aloui, Mohamed El fadili, et al. · Scientific Reports · 10
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An in-depth study of indolone derivatives as potential lung cancer treatment
2025 · Mohammed Er-rajy, Mohamed El fadili, et al. · Scientific Reports · 9
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Works count: 20
Citation count: 631
H-index: 15
I10-index: 18
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