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

Mourad Aloui(Sidi Mohamed Ben Abdellah University), Menana Elhallaoui(Sidi Mohamed Ben Abdellah University), Mohammed Er-rajy(Euro-Mediterranean University of Fes), Sara Zarougui(Sidi Mohamed Ben Abdellah University), Somdutt Mujwar(Chitkara University), Mohamed El fadili(Sidi Mohamed Ben Abdellah University), Hatem A. Abuelizz(King Saud University), Sara Er-Rahmani(University of Turin)
Heliyon
September 25, 2024
10.1016/j.heliyon.2024.e38383
Cited by 10

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