Novel chemical scaffolds of the tumor marker AKRIBIO inhibitors discovered by 3D QSAR pharmacophore modeling

查看全文 作　　者：Raj [1]KUMAR;Minky [1]SON;Rohit [1]BAVI;Yuno [1]LEE;Chanin [1]PARK;Venkatesh [1]ARULALAPPERUMAL;Guang Ping [1]CAO;Hyong-ha [2]KIM;Jung-keun [3]SUH;Yong-seong [4]KIM;Yong Jung [5]KWON;Keun Woo [1]LEE

机构地区：[1]Division of Applied Life Science (BK21 Plus Program), Systems and Synthetic Agrobiotech Center (SSAC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Research Institute of Natural Science (RINS), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju 660- 701, Republic of Korea;[2]Division of Quality of Life, Korea Research Institute of Standards and Science, Daejeon 305-340, Republic of Korea;[3]Bio Computing Major, Korean German Institute of Technology, Seoul 157-033, Republic of Korea;[4]Department of Science Education, Kyungnam University, Masan 631-701, Republic of Korea;[5]Department of Chemical Engineering, Kangwon National University, Chunchon 200- 701, Republic of Korea

出　　处：《Acta Pharmacologica Sinica》索引2015年第36卷第8期,共15页

摘　　要：目的: 最近的证据建议 aldo-keto reductase 家庭 1 B10 (AKR1B10 ) 可以是禁止者为人的癌症的许多类型的治疗为一种有希望的选择提供的人的肿瘤,和那 AKR1B10 的一个潜在的诊断或预示的标记。这研究的目的是识别在 silico 途径使用的 AKR1B10 禁止者的新奇化学脚手架。 关键词：三维定量构效关系药效团模型肿瘤标志物抑制剂化工新材料化学数据库分子动力学模拟密度泛函理论

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Novel chemical scaffolds of the tumor marker AKRIBIO inhibitors discovered by 3D QSAR pharmacophore modeling

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