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A de novo substructure generation algorithm for identifying the privileged chemical fragments of liver X receptorβ agonists

Liver X receptorβ (LXRβ) is a promising therapeutic target for lipid disorders, atherosclerosis, chronic inflammation, autoimmunity, cancer and neurodegenerative diseases. Druggable LXRβ agonists have been explored over the past decades. However, the pocket of LXRβ ligand-binding domain (LBD) is too...

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Publicat a:Sci Rep
Autors principals: Peng, He, Liu, Zhihong, Yan, Xin, Ren, Jian, Xu, Jun
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group UK 2017
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5593923/
https://ncbi.nlm.nih.gov/pubmed/28894088
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-08848-4
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