Integrated QSAR, docking, pharmacokinetics, and molecular dynamics approaches for designing IRAK4 inhibitors against MYD88^L265P-driven diffuse large B-cell lymphoma
Abstract Interleukin-1 receptor-associated kinase 4 (IRAK4) is a key mediator of MYD88^L265P-driven diffuse large B-cell lymphoma (DLBCL) and a promising drug target. We applied an integrated in silico pipeline, namely, 2D-QSAR (MLR with GA), molecular docking, ADMET profiling, and 100-ns molecular...
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| Principais autores: | , , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Springer
2025-12-01
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| 叢編: | Discover Chemistry |
| 主題: | |
| 在線閱讀: | https://doi.org/10.1007/s44371-025-00391-w |
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