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• W2951290596 abstract "ABSTRACTAbnormal expression of tumour necrosis factor-α (TNF-α) can lead to various pathological reactions, such as arthritis, psoriasis, krone disease, etc. p38 mitogen-activated protein kinase (p38 MAPK) is an important signal transduction enzyme that plays important roles in influencing the release of intracellular TNF-α factor. It is very meaningful to study the targeting kinase with specific inhibitors in the treatment of related diseases. In order to achieve a deeper insight, it is necessary to analyse the structural characteristics and the action mode of the p38 MAPK inhibitors in the active site. In the study, a ligand-based common feature pharmacophore model and the receptor structure-based pharmacophore model were constructed, respectively. Their common chemical features consisted of the hydrophobic groups (H) and the hydrogen bond acceptors (A), and kept the consistency of spatial structure distribution. Then, the molecular docking and molecular dynamics simulation were performed with the eight..." @default.
• W2951290596 created "2019-06-27" @default.
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• W2951290596 date "2019-06-11" @default.
• W2951290596 modified "2023-09-24" @default.
• W2951290596 title "Evaluation of the combination mode and features of p38 MAPK inhibitors: construction of different pharmacophore models and molecular docking" @default.
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• W2951290596 doi "https://doi.org/10.1080/08927022.2019.1606426" @default.
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