Browsing by Author "Cacciatore, Ivana"

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Revealing innovative JAK1 and JAK3 inhibitors: a comprehensive study utilizing QSAR, 3D-Pharmacophore screening, molecular docking, molecular dynamics, and MM/GBSA analyses

Cacciatore, Ivana; Alnajjar, Radwan; Hanine, Hadni; Aouidate, Adnane; Mothana, Ramzi A.; Alanzi, Abdullah R.; Elhallaoui, Menana; Faris, Abdelmoujoud (Faculty of Pharmacy, 2024-03-09)

The heterocycle compounds, with their diverse functionalities, are particularly effective in inhibiting Janus kinases (JAKs). Therefore, it is crucial to identify the correlation between their complex structures and ...