Author

S. Daoud

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Open access Aug 2026

Identification of novel PKR inhibitory chemotypes via integrated molecular modelling and machine learning

This work demonstrates that integrating docking-derived pharmacophores with conformational ensemble-based machine learning provides an effective approach for discovering novel inhibitors against underexplored kinase targets.

G. Shakhatreh, M. Taha, S. Daoud · RSC Advances · 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. · Journal of Pharmaceutical In... · 0 citations