In silico insights into the design of novel NR2B-selective NMDA receptor antagonists: QSAR modeling, ADME-toxicity predictions, molecular docking, and molecular dynamics investigations

Mohamed El fadili(Sidi Mohamed Ben Abdellah University), Menana Elhallaoui(Sidi Mohamed Ben Abdellah University), Rachid Bouzammit(Sidi Mohamed Ben Abdellah University), Sara Er-Rahmani(University of Turin), Mohammed Kara(Sidi Mohamed Ben Abdellah University), Hatem A. Abuelizz(King Saud University), Somdutt Mujwar(Chitkara University), Abduljelil Ajala(Ahmadu Bello University), Mohammed Er-rajy(Euro-Mediterranean University of Fes)
BMC Chemistry
July 31, 2024
10.1186/s13065-024-01248-6
Cited by 29

Related Papers

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
|Pharmaceuticals|2022|71
Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation
|Journal of Biomolecular Structure and Dynamics|2023|55
2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives
|Structural Chemistry|2022|54
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
|Processes|2022|53
QSAR, ADME-Tox, molecular docking and molecular dynamics simulations of novel selective glycine transporter type 1 inhibitors with memory enhancing properties
|Heliyon|2023|46