Author

M. Elhallaoui

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Open access Oct 2026

In silico design of novel indolinone-based anticancer agents and proposal of synthetic routes

The RAF–MEK–ERK signaling pathway plays a central role in cancer development and progression and represents an important target for anticancer drug discovery. Simultaneous targeting of components of this pathway may therefore represent a promising strategy for cancer treatment. A quantitative structure-activity relatio...

M. Er-rajy, Mohamed El Fadili, Hanane Etabti et al. · Frontiers in Bioinformatics · 0 citations

Open access Aug 2026

Multiscale mechanistic modeling for the rational design of novel dual-target candidates against acetylcholinesterase and NADPH oxidase: an advanced computational study

New derivatives based on benzofuran and pyrazole scaffolds designed and assessed for their antioxidant potential and acetylcholinesterase inhibitory activity provide further evidence for the potential of the designed compounds to behave as multi-target ligands with AChE inhibition and antioxidant properties that would...

Mohamed El Fadili, M. Er-rajy, S. Mujwar et al. · Frontiers in Chemistry · 0 citations

Open access Aug 2026

In Silico Optimization of Dihydropteridine Derivatives Targeting PLK1 for Glioblastoma: An Integrated QSAR, Docking, and Molecular Dynamics Study

Computational findings support the prioritization of X14 for further experimental validation in glioblastoma therapy, and generally favorable ADMET profiles were observed, hepatotoxicity alerts were predicted for all compounds, which represents an important limitation supporting the prioritization of X14.

Youssef Briach, M. Er-rajy, Jamal Elkhabchi et al. · Biointerface Research in App... · 0 citations