Molecular docking and ADMET investigation of a novel series of Pyridinylimidazole derivatives as potential p38α MAP kinase inhibitors

The p38α MAP kinase is a potential therapeutic target for neurodegenerative disorders like Alzheimer's disease. In this study, a dataset of Pyridinylimidazole derivatives was tested against the p38 MAP kinase enzyme using molecular docking and ADMET prediction studies. The objective is to select the most appropriate inhibitors for the p38 MAP kinase enzyme. The findings of molecular docking reveal that the majority of Pyridinylimidazole derivatives exhibit a high affinity for the p38 MAP kinase binding pocket, in comparison to the enzyme's recently approved inhibitor (Neflamapimod). The top-ranked compounds by docking analysis were then evaluated using ADMET prediction. The results show that the Pyridinylimidazole derivatives have acceptable pharmacokinetic properties