An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes.
作者:
Shuntaro,Chiba [1]
;
Takashi,Ishida [2]
;
Kazuyoshi,Ikeda [1]
;
Masahiro,Mochizuki [2]
;
Reiji,Teramoto [3]
;
Y-H,Taguchi [4]
;
Mitsuo,Iwadate [5]
;
Hideaki,Umeyama [6]
;
Chandrasekaran,Ramakrishnan [7]
;
A Mary,Thangakani [8]
;
D,Velmurugan [8]
;
M Michael,Gromiha [9]
;
Tatsuya,Okuno [10]
;
Koya,Kato [10]
;
Shintaro,Minami [9]
;
George,Chikenji [11]
;
Shogo D,Suzuki [12]
;
Keisuke,Yanagisawa [13]
;
Woong-Hee,Shin [12]
;
Daisuke,Kihara [3]
;
Kazuki Z,Yamamoto [3]
;
Yoshitaka,Moriwaki [14]
;
Nobuaki,Yasuo [14]
;
Ryunosuke,Yoshino [15]
;
Sergey,Zozulya [16]
;
Petro,Borysko [17]
;
Roman,Stavniichuk [3]
;
Teruki,Honma [17]
;
Takatsugu,Hirokawa [18]
;
Yutaka,Akiyama [19]
;
Masakazu,Sekijima [20]
作者单位:
Advanced Computational Drug Discovery Unit, Institute of Innovative Research, Tokyo Institute of Technology, J3-23 4259 Nagatsuta-cho, Midori-ku, Yokohama, 226-8501, Japan.
[1]
Education Academy of Computational Life Sciences, Tokyo Institute of Technology, J3-141 4259 Nagatsuta-cho, Midori-ku, Yokohama, 226-8501, Japan.
[2]
Department of Computer Science, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro-ku, Tokyo, 152-8550, Japan.
[3]
Level Five Co. Ltd., Shiodome Shibarikyu Bldg., 1-2-3 Kaigan, Minato-ku, Tokyo, 105-0022, Japan.
[4]
IMSBIO Co., Ltd., Level 6 OWL TOWER, 4-21-1 Higashi-Ikebukuro, Toshima-ku, Tokyo, 170-0013, Japan.
[5]
Forerunner Pharma Research, Co., Ltd., Yokohama Bio Industry Center, 1-6 Suehiro-cho, Tsurumi-ku, Yokohama, 230-0045, Japan.
[6]
Department of Physics, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo, 112-8551, Japan.
[7]
Department of Biological Sciences, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo, 112-8551, Japan.
[8]
Department of Biotechnology, Bhupat Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, 600036, Tamilnadu, India.
[9]
CAS in Crystallography and Biophysics and Bioinformatics Facility, University of Madras, Chennai, 600025, Tamilnadu, India.
[10]
Division of Neurogenetics, Nagoya University Graduate School of Medicine, 65 Tsurumai, Showa-ku, Nagoya, 466-8550, Japan.
[11]
Department of Computational Science and Engineering, Nagoya University, Furocho, Chikusa, Nagoya, 464-8603, Japan.
[12]
Department of Complex Systems Science, Graduate School of Information Science, Nagoya University, Furocho, Chikusa, Nagoya, 464-8601, Japan.
[13]
Department of Biological Sciences, Purdue University, Indiana, 47907, USA.
[14]
Department of Computer Science, Purdue University, Indiana, 47907, USA.
[15]
Isotope Science Center, The University of Tokyo, 2-11- 16, Yayoi, Bunkyo-ku, Tokyo, 113-0032, Japan.
[16]
Department of Biotechnology, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo, 113-8657, Japan.
[17]
Global Scientific Information and Computing Center, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro-ku, Tokyo, 152-8550, Japan.
[18]
Bienta/Enamine Ltd., 78 Chervonotkatska Street, Kyiv, 02660, Ukraine.
[19]
National Taras Shevchenko University of Kyiv, 64/13 Volodymyrska Street, Kyiv, 01601, Ukraine.
[20]
Center for Life Science Technologies, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa, 230-0045, Japan.
[21]
Molecular Profiling Research Center for Drug Discovery, National Institute of Advanced Industrial Science and Technology, 2-4-7 Aomi, Koto-ku, Tokyo, 135-0064, Japan.
[22]
Division of Biomedical Science, Faculty of Medicine, University of Tsukuba, 1-1-1 Tennodai, Tsukuba-shi, Ibaraki, 305-8575, Japan.
[23]
Initiative for Parallel Bioinformatics, Level 14 Hibiya Central Building, 1-2-9 Nishi-Shimbashi Minato-Ku, Tokyo, 105-0003, Japan.
[24]
Advanced Computational Drug Discovery Unit, Institute of Innovative Research, Tokyo Institute of Technology, J3-23 4259 Nagatsuta-cho, Midori-ku, Yokohama, 226-8501, Japan. sekijima@c.titech.ac.jp.
[25]
Education Academy of Computational Life Sciences, Tokyo Institute of Technology, J3-141 4259 Nagatsuta-cho, Midori-ku, Yokohama, 226-8501, Japan. sekijima@c.titech.ac.jp.
[26]
Department of Computer Science, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro-ku, Tokyo, 152-8550, Japan. sekijima@c.titech.ac.jp.
[27]
Global Scientific Information and Computing Center, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro-ku, Tokyo, 152-8550, Japan. sekijima@c.titech.ac.jp.
[28]
Initiative for Parallel Bioinformatics, Level 14 Hibiya Central Building, 1-2-9 Nishi-Shimbashi Minato-Ku, Tokyo, 105-0003, Japan. sekijima@c.titech.ac.jp.
[29]
主题词
药物发现(Drug Discovery);酶抑制剂(Enzyme Inhibitors);高通量筛选分析(High-Throughput Screening Assays);人类(Humans);分子结构(Molecular Structure);蛋白质结合(Protein Binding);蛋白激酶抑制剂(Protein Kinase Inhibitors);原癌基因蛋白质c-yes(Proto-Oncogene Proteins c-yes);结果可重复性(Reproducibility of Results);构效关系(Structure-Activity Relationship)
DOI
10.1038/s41598-017-10275-4
PMID
28931921
发布时间
2019-07-16
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