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S. Chtita

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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. · 0 citations
Review Oct 2026

In silico Exploration of the Therapeutic Potential of Phytocannabinoids.

Plant-derived cannabinoids exhibit remarkable structural diversity and have attracted increasing attention as bioactive compounds. Recent in silico studies have explored how these compounds interact with molecular targets involved in neurodegenerative, metabolic, oncological, and viral diseases. This review summarizes...

H. Nour, N. Mounadi, S. Chtita · 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. · 0 citations
Open access Sep 2026

Repositioning antiviral phytoconstituents as broad-spectrum inhibitors of influenza A neuraminidase and human metapneumovirus fusion protein

Viral respiratory infections still exist as a major global health concern. Influenza A viruses and human metapneumoviruses are among the main pathogens responsible for infections that can progress to severe acute respiratory forms. Despite the availability of certain therapeutic options, the need for effective treatmen...

N. Mounadi, H. Nour, M. el Kouali et al. · 0 citations
Open access Jul 2026

Cannabis as a source of novel therapeutics: A computational study combining LBDD and structure-based docking/dynamics to identify novel drug-like compounds for colorectal cancer

This study investigates the potential of cannabis-derived compounds to inhibit cyclin-dependent kinase 2 (CDK2), a crucial regulator of cell-cycle progression and colorectal cancer cell proliferation.

Khadija Khaddam Allah, Khaoula Mkhayar, Rachid Haloui et al. · 0 citations

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