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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

Mohamed Bouhrim

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Open access Oct 2026

Multiscale Computational Prioritization of Chromone-Based Acetylcholinesterase Ligands

Identifying acetylcholinesterase (AChE) ligands for Alzheimer’s disease research requires integrating molecular recognition with pharmacokinetic and safety considerations. Here, four designed chromone derivatives (M1–M4) were investigated to determine how conformational sampling and complementary molecular descriptors...

Oussama Khibech, Bahia Abdelfattah, Mohamed Bouhrim et al. · 0 citations
Open access Oct 2026

Chemical Profiling, Antifungal and Insecticidal Activities of Santolina chamaecyparissus L. Essential Oil: An Integrated Experimental and In Silico Study

Santolina chamaecyparissus L. essential oil (EO) was investigated for its chemical composition, antifungal and insecticidal activities, together with complementary molecular docking and ADMET analyses. GC–MS revealed a monoterpene-rich profile dominated by santolina triene (48.44%), α-pinene (14.05%), camphor (8.80%),...

Aziz Zouhri, R. El-mernissi, Assia Houiat et al. · 0 citations
Open access Aug 2026

Integrated Computational Study Prioritizes Drug-like Para-Flavonoids as Candidate SARS-CoV-2 Mpro Inhibitors

Seven para-substituted flavonoid hybrids against the main protease (Mpro) are designed and M6 is prioritized as a computational lead requiring Mpro inhibition, antiviral, and cytotoxicity validation.

Jawaher H. Alqahtani, Mohammed Ouachekradi, Bahia Abdelfattah et al. · 0 citations

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