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Alzheimer's disease (AD) is a complex neurological disorder without effective treatment. One factor in its development is c-Jun N-terminal kinases (JNKs), a type of protein related to brain function. JNK3, found mainly in the brain, contributes to AD by promoting brain abnormalities. Current research aims to create new JNK3 inhibitors for AD treatment using a virtual screening method. A database of compounds was filtered, and five potential compounds were identified with better scores than a reference. These compounds underwent simulations and energy calculations, showing stability and potential as JNK3 inhibitors.
Alzheimer's disease, Neurological disorders, JNK3 inhibitors, HTVS, Molecular dynamics simulation, MMGB/PBSA, Free Energy Landscape
Alzheimer's disease, Neurological disorders, JNK3 inhibitors, HTVS, Molecular dynamics simulation, MMGB/PBSA, Free Energy Landscape
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