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Citation: Xie Ai-Hua, Li Bo-Yu, Liao Chen-Zhong, Li Zhi-Bin, Lu Xian-Ping, Shi Le-Ming, Zhou Jia-Ju. Docking Study of HDAC Implication for Benzamide Inhibitors Binding Mode[J]. Acta Physico-Chimica Sinica, ;2004, 20(06): 569-572. doi: 10.3866/PKU.WHXB20040603 shu

Docking Study of HDAC Implication for Benzamide Inhibitors Binding Mode

1.
Institute of Process Engineering, Chinese Academy of Sciences, Beijing　100080; 1Chipscreen Biosciences, Limited, Shenzhen　518057

Received Date: 24 February 2004
Available Online: 15 June 2004

The paper proposed a possible binding mode of MS-275, a benzamide histone deacetylase (HDAC) inhibitor, to HDAC by intensive docking study. This binding mode is different from those observed in the crystal structure of complexes formed by a histone deacetylase-like protein (HDLP) with trichostatin A (TSA) or suberoylanilide hydroxamic acid (SAHA). The docking result implicates that the main target of MS-275 is the narrowest part of HDAC active pocket. It seems to be able to explain the low toxicity of MS-275 and provides new insights on the design of novel HDAC inhibitors.
- Histone deacetylase(HDAC);Histone deacetylase like protein(HDLP);　Trichostatin A(TSA);Docking;MS-275
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