In silico docking simulation analysis of PPCPs to the fish estrogen receptor subtypes
Project/Area Number |
25550041
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Research Category |
Grant-in-Aid for Challenging Exploratory Research
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Allocation Type | Multi-year Fund |
Research Field |
Risk sciences of radiation and chemicals
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Research Institution | Ehime University (2014) Shokei Junior College (2013) |
Principal Investigator |
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Project Period (FY) |
2013-04-01 – 2015-03-31
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Project Status |
Completed (Fiscal Year 2014)
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Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2014: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
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Keywords | 医薬品 / 水環境汚染 / エストロゲン受容体 / 計算化学 / メダカ / 遺伝子 |
Outline of Final Research Achievements |
To investigate the interaction potential of pharmaceuticals and personal care products (PPCPs) on fish estrogen receptor (ER) subtypes in silico, a three-dimensional model of the ER ligand-binding domain (LBD) was built and docking simulations were performed. Docking experiments revealed that medaka, zebrafish, roach, fathead minnow, carp, and stickleback ERα LBD protein strongly interacted with natural estrogens. Moreover, analgesic/anti-inflammatory, lipid regulation, β-blocker, and antidepressant drugs were docked to several fish ERα LBD. We also found differences in the key amino acid residues among the fish ER LBDs, indicating involving the differences between species and estrogenic potencies of the selected PPCPs. These results suggest that the ER signaling is disrupted by exposure to these PPCPs. Our in silico analysis may provide an insight into the potential effects of PPCPs on teleost fish.
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Report
(3 results)
Research Products
(30 results)
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[Journal Article] Endocrine-disrupting potentials of equine estrogens equilin, equilenin, and their metabolites, in the medaka Oryzias latipes: in silico and DNA microarray studies2015
Author(s)
Uchida, M., Ishibashi, H., Yamamoto, R., Koyanagi, A., Kusano, T., Tominaga, N., Ishibashi, Y., Arizono, K.
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Journal Title
Journal of Applied Toxicology
Volume: in press
Issue: 9
Pages: 1040-1048
DOI
Related Report
Peer Reviewed / Open Access
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[Journal Article] Identification and characterization of the androgen receptor from the American alligator, Alligator mississippiensis2015
Author(s)
Miyagawa, S., Yatsu, R., Kohno, S., Doheny, B.M., Ogino, Y., Ishibashi, H., Katsu, Y., Ohta, Y., Guillette, L.J.Jr., Iguchi, T.
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Journal Title
Endocrinology
Volume: in press
Related Report
Peer Reviewed / Open Access
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[Journal Article] Trophic magnification of polychlorinated biphenyls and polybrominated diphenyl ethers in an estuarine food web of the Ariake Sea, Japan2015
Author(s)
Kobayashi, J., Imuta, Y., Komorita, T., Yamada, K., Ishibashi, H., Ishihara, F., Nakashima, N., Sakai, J., Arizono, K., Koga, M.
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Journal Title
Chemosphere
Volume: 118
Pages: 201-206
DOI
Related Report
Peer Reviewed / Open Access
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[Journal Article] Effects of lithium on growth, maturation, reproduction, and gene expression in the nematode Caenorhabditis elegans2015
Author(s)
Inokuchi, A., Yamamoto, R., Morita, F., Takumi, S., Matsusaki, H., Ishibashi, H., Tominaga, T., Arizono, K.
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Journal Title
Journal of Applied Toxicology
Volume: in press
Issue: 9
Pages: 999-1006
DOI
Related Report
Peer Reviewed / Open Access
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[Journal Article] Comparative study of the biological effects of antimicrobials, triclosan and trichlocarban, for C. elegans2014
Author(s)
Inokuchi, A., Nihira, M., Minakoshi, M., Yamamoto, R., Ishibashi, H., Tominaga, N., Arizono, K.
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Journal Title
Journal of Environment and Safety
Volume: 4
NAID
Related Report
Peer Reviewed
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[Journal Article] Quantitative analysis of the interaction of constitutive androstane receptor with chemicals and steroid receptor coactivator 1 using surface Plasmon resonance biosensor systems : A case study of the Baikal seal (Pusa sibirica) and mouse.2013
Author(s)
Dau, P.T., Sakai, H., Hirano. M., Ishibashi, H., Tanaka, Y., Kameda, K., Fujino, T., Kim, E,Y. and Iwata, H.
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Journal Title
Toxicol. Sci.
Volume: 131(1)
Issue: 1
Pages: 116-127
DOI
Related Report
Peer Reviewed
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[Journal Article] Study of dietary phytoestrogens and estrogenic activity in pet animal diets2013
Author(s)
Nakashima, S., Ji, H., Ishitobi, S., Kawazoe, S., Koga, M., Shinohara, R., Ishibashi, H., Tominaga, N., Arizono, K.
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Journal Title
Japanese Journal of Food Chemistry and Safety
Volume: 20
Pages: 22-30
NAID
Related Report
Peer Reviewed
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[Presentation] Gain of function mutations in two paralogous Androgen receptor (AR) genes of teleosts: Implications for evolution of AR gene function2015
Author(s)
Ogino, Y., Kuraku, S., Ishibashi, H., Miyakawa, H., Miyagawa, S., Yamada, G., Baker, M.E., Iguchi, T
Organizer
48th Annual Meeting of the Japanese Society of Developmental Biologists
Place of Presentation
Tsukuba
Year and Date
2015-06-02 – 2015-06-05
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[Presentation] Transcriptomic analysis of the liver of Japanese medaka (Oryzias latipes) exposed to Kanechlor-500, BDE47 or PFOS2013
Author(s)
Ishibashi, H., Uchida, M., Hirano, M., Kobayashi, J., Komorita, T., Nakamura, H., Kagami, Y., Kusano, T., Ishibashi, Y., Arizono, K.
Organizer
7th International Conference on Marine Pollution and Ecotoxicology
Place of Presentation
Hong Kong
Related Report
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