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Author

M. Taha

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Sep 2026

Natural Product‐Derived ErbB1 Inhibitors Identified Through Machine Learning‐Based QSAR, Molecular Docking, and Molecular Dynamics Simulations

This work developed an integrated computational strategy to identify novel natural product‐derived ErbB1 inhibitors and provides a scalable computational framework to support future experimental validation and lead optimization.

F. Bouchama, A. Djerourou, Abdelmalek Khorief Nacereddine et al. · 0 citations
Aug 2026

Decoding MLK4 Inhibition with Interpretable Machine Learning: Identification of a Novel Dihydroimidazopyridine-Based Promising Lead Compound

These findings introduce H_1 as a computationally prioritized, putative MLK4-binding lead and provide a hypothesis-generating framework for MLK4-targeted scaffold prioritization, while recognizing that experimental activity and kinome selectivity profiling remain necessary before H_1 can be described as a confirmed MLK...

Afnan A. Alzaghari, S. Daoud, Husam Nassar et al. · 0 citations

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