Design,synthesis and biological evaluation of(1,3-diphenyl-1H-pyrazol-4-yl)methyl benzoate derivativ

来源 :第八届国际分子模拟与信息技术应用学术会议 | 被引量 : 0次 | 上传用户：jun_er

【摘要】

：

　　A series of [1,3-diphenyl-1H-pyrazol-4-yl)methyl benzoate derivatives(6a-10d)were designed,synthesized and evaluated as BRAFV600E inhibitors.Biological eval

【作者】

：

Ya-JuanQin[1]ManXing[1]Ya-LiangZhang[1]JigarA.Makawana[1]Ai-QinJiang[2]Hai-LiangZhu[1]

【机构】

：

State Key Laboratory of Pharmaceutical Biotechnology,School of Life Science,Nanjing University,Nanji

【出处】

：

第八届国际分子模拟与信息技术应用学术会议

【发表日期】

：

2016年期

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　　A series of [1,3-diphenyl-1H-pyrazol-4-yl)methyl benzoate derivatives(6a-10d)were designed,synthesized and evaluated as BRAFV600E inhibitors.Biological evaluation assays indicated that compound 10a showed the most potent inhibitory activity against A375.WM266.4 and BRAFV600E in vitro with IC50 values of 1.36 μM.0.94 μM and 0.11 μM respectively compared with the positive compound vemurafenib Furthermore,compound 10a showed highly selective BRAFV600E inhibitory activity in vitro.A docking simulation displayed that compound 10a could tightly bind the crystal structure of BRAFV600E at the active site.3D-QSAR would provide a guideline to design and optimize more potent and positive BRAFV600E inhibitors based on the(1,3-diphenyl-1H-pyrazol-4-yl)methyl benzoate derivatives skeleton.

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Design,synthesis and biological evaluation of(1,3-diphenyl-1H-pyrazol-4-yl)methyl benzoate derivativ

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