SC
Samir Chtita

Publications (17)

Multiscale mechanistic modeling for the rational design of novel dual-target candidates against acetylcholinesterase and NADPH oxidase: an advanced computational study
Article scientifique · 2026
Integrated in silico and experimental evaluation of enhanced antioxidant effects of Mentha species using mixture design methodology
Article scientifique · 2026
Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer’s disease
Article scientifique · 2026
In-silico assessment of structure-based derivatives of phytochemicals from CHEESE webserver for anti-EZH2: advancing druggable lead identification for pancreatic cancer therapy
Article scientifique · 2025
2D-QSAR-guided design of potent carbamate-based inhibitors of acetylcholinesterase
Article scientifique · 2025
Neuroprotective effect of curcumin against reserpine-induced oxidative damage in the cerebellum of mice in an acute model of Parkinson's disease: Combined in vivo study, molecular docking and molecular dynamics
Article scientifique · 2026
Repurposing of sericin combined with dactolisib or vitamin D to combat non-small lung cancer cells through computational and biological investigations
Article scientifique · 2024
Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives
Article scientifique · 2024
Exploring Cannabis sativa L for Anti-Alzheimer Potential: An extensive Computational Study including Molecular Docking, Molecular Dynamics, and ADMET Assessments
Article scientifique · 2024
Future anti-Sleep Disorders agents: In silico virtual screening, Drug likness, ADMET and molecular docking and dynamics
Article scientifique · 2023
Repositioning antiviral phytoconstituents as broad-spectrum inhibitors of influenza A neuraminidase and human metapneumovirus fusion protein
Article scientifique · 2026
QSAR studies and molecular docking analysis of 1,4-dihydropyridines as Calcium Channel Blockers using DFT and ANN methods
Article scientifique · 2023
Novel quinazolinone-isoxazoline hybrids: synthesis, structural elucidation and theoretical DFT mechanistic study
Article scientifique · 2022
QSAR, molecular docking and ADMET studies of Quinoline, Isoquinoline and Quinazoline derivatives against Plasmodium falciparum malaria
Article scientifique · 2022
2D-QSPR Study of Olfactive Thresholds for Pyrazine Derivatives Using DFT and Statistical Methods
Article scientifique · 2019
QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors
Article scientifique · 2018
QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity
Article scientifique · 2017

Domaines principaux

Sciences de la santé8 Sciences mathématiques et statistiques5 Informatique et sciences numériques5 Sciences physiques et chimiques2 Sciences agricoles, animales et alimentaires1

Statistiques

Consultations12
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