Structure-based virtual screening for novel p38MAPK inhibitors and their biological evaluation

• DOI: 10.55415/deep-2023-0056.v1
• Publication Date: 2023-10-25T01:09:05Z
• Authors: Qinwen Zheng; Yumeng Zhu; Aoxue Wang; Panpan Yang; Xin Wang; Wen Shuai; Liang Ouyang; Guan Wang
• Keywords: MAPK14

Mitogen-activated protein kinases (MAPK) are a group of serine-threonine that can be activated by extracellular stimuli. p38α(MAPK14) affects major disease processes, inhibition p38α has been shown to have potential therapeutic effects. Many inhibitors targeting entered clinical trials but long development cycle and serious side We developed multi-step receptor structure-based virtual screening method screen bioactive molecules from SPECS our libraries MCDB. Compound 10 was identified as promising inhibitor, which may used in the treatment p38αMAPK pathway-related diseases, further exploration is needed.