Pharmacophore Model and Molecular Dynamics Simulations of Histone deacetylase Inhibitors

来源 :2016年长三角药物化学研讨会 | 被引量 : 0次 | 上传用户:l_zhanghk
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  Histone deacetylases (HDAC) enzyme plays a significant role in transcriptional regulation by modifying the core histones of the nucleosome,therefore it has emerged as an important therapeutic target for the treatment of cancer and other diseases.Pharcophore models of HDAC are developed based on 24 Histone deacetylase inhibitors.
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Scutellarin (1) was readily hydrolyzed into scutellarein (2) in the intestine and then metabolited into methylated,sulfated or glucuronidated forms.
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6-O-methyl-scutellarein (Figure 1),as the main metabolite of scutellarin (Figure 1) in vivo,has not been reported about its protective effects.