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

Histone Lysine Specific Demethylase 1 (LSD1) is overexpressed in many cancers and becomes a new target for anticancer drugs. In recent years, small molecule inhibitors with various structures targeting LSD1 have been reported. Here we report the binding interaction modes of a series of thieno[3,2-b]...

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Detalles Bibliográficos
Autores principales:	Xu, Yongtao, He, Zihao, Liu, Hongyi, Chen, Yifan, Gao, Yunlong, Zhang, Songjie, Wang, Meiting, Lu, Xiaoyuan, Wang, Chang, Zhao, Zongya, Liu, Yan, Zhao, Junqiang, Yu, Yi, Yang, Min
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049714/ https://www.ncbi.nlm.nih.gov/pubmed/35493862 http://dx.doi.org/10.1039/c9ra10085g

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