Structure-Based Discovery of Novel and Selective 5-HT2B Antagonists for the Treatment of Irritable B

来源 :第十三届全国计算机化学学会会议 | 被引量 : 0次 | 上传用户：wangdaojin

【摘要】

：

　　Here,we employed structure-based ligand discovery techniques to explore the opportunity of a recently determined crystal structure of the 5-HT2B receptor.We

【作者】

：

YuZhou[1]JingMa[2]XingyuLin[1]KaichunWu[2]NiuHuang[1]

【机构】

：

National Institute of Biological Sciences,Beijing,No.7 Science Park Road,Zhongguancun Life Science P

【出处】

：

第十三届全国计算机化学学会会议

【发表日期】

：

2015年期

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　　Here,we employed structure-based ligand discovery techniques to explore the opportunity of a recently determined crystal structure of the 5-HT2B receptor.We applied an induced-fit protocol to improve the structural model for accommodating known 5-HT2B antagonists,and we assessed the quality of these induced-fit models via retrospective virtual screening.

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Structure-Based Discovery of Novel and Selective 5-HT2B Antagonists for the Treatment of Irritable B

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