Journal of molecular graphics & modelling
Structure-based discovery of novel TAOK3 inhibitor via virtual screening, molecular dynamics simulations, and MM/GBSA analysis.
Ali M Alaseem, Glowi Alasiri, Mohamed M El-Wekil, Al-Montaser Bellah H Ali, Ahmed K Hamdy
Published: 202610.1016/j.jmgm.2026.109286
Abstract
Cancer persists as a leading cause of global mortality, and the mitogen-activated protein kinase (MAPK) pathway plays a pivotal role in tumor progression and drug resistance. Among MAPK regulators, TAOK3 has emerged as a promising therapeutic target…
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