3D-QSAR, molecular docking, and molecular dynamics simulation study of thieno[3,2-<i>b</i>]pyrrole-5-carboxamide derivatives as LSD1 inhibitors.

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作者： Yongtao,Xu ^[1] ; Zihao,He ^[2] ; Hongyi,Liu ^[3] ; Yifan,Chen ^[1] ; Yunlong,Gao ^[2] ; Songjie,Zhang ^[3] ; Meiting,Wang ^[1] ; Xiaoyuan,Lu ^[2] ; Chang,Wang ^[3] ; Zongya,Zhao ^[1] ; Yan,Liu ^[2] ; Junqiang,Zhao ^[3] ; Yi,Yu ^[1] ; Min,Yang ^[2]

作者单位： School of Biomedical Engineering, Xinxiang Medical University Xinxiang Henan 453003 China yxu@xxmu.edu.cn yangmin@xxmu.edu.cn. ^[1] Xinxiang Key Laboratory of Biomedical Information Research Xinxiang Henan 453003 China. ^[2] Henan Engineering Laboratory of Combinatorial Technique for Clinical and Biomedical Big Data Xinxiang Henan 453003 China. ^[3]

DOI 10.1039/c9ra10085g

PMID 35493862

发布时间 2023-11-03

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RSC advances

2020年10卷12期

6927-6943页

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3D-QSAR, molecular docking, and molecular dynamics simulation study of thieno[3,2-<i>b</i>]pyrrole-5-carboxamide derivatives as LSD1 inhibitors.

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3D-QSAR, molecular docking, and molecular dynamics simulation study of thieno[3,2-<i>b</i>]pyrrole-5-carboxamide derivatives as LSD1 inhibitors.

RSC advances

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RSC advances

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