Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Hideo Kubodera"'
Autor:
Koji Ogata, Tetsu Isomura, Shinji Kawata, Hiroshi Yamashita, Hideo Kubodera, Shoshana J. Wodak
Publikováno v:
Molecules, Vol 15, Iss 6, Pp 4382-4400 (2010)
This work proposes a computational procedure for structure-based lead generation and optimization, which relies on the complementarity of the protein-ligand interactions. This procedure takes as input the known structure of a protein-ligand complex.
Externí odkaz:
https://doaj.org/article/c19c53be679045bd837cb83f8bb62abb
Autor:
Yoshie Takizawa, Rieko Nakata, Kiyoshi Fukuhara, Hiroshi Yamashita, Hideo Kubodera, Hiroyasu Inoue
Publikováno v:
PLoS ONE, Vol 10, Iss 3, p e0120865 (2015)
Long-term moderate consumption of red wine is associated with a reduced risk of developing lifestyle-related diseases such as cardiovascular disease and cancer. Therefore, resveratrol, a constituent of grapes and various other plants, has attracted s
Externí odkaz:
https://doaj.org/article/cd8e5db4cf36492799c1f50283c6ac68
Publikováno v:
Biophysical Chemistry. :119-126
Accurate methods to predict the binding affinities of compounds for target molecules are powerful tools in structure-based drug design (SBDD). A recently developed method called massively parallel computation of absolute binding free energy with a we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ddbdc675edff174359b8d1375e5f91a
https://doi.org/10.1016/j.bpc.2013.07.005
https://doi.org/10.1016/j.bpc.2013.07.005
Publikováno v:
QSAR & Combinatorial Science. 26:596-607
In order to estimate the size of chemical spaces, a quantitative approach was employed consisting of summing all possible combinations of atomic species generated computationally for a given three-dimensional geometry. The atomic species were compris
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0808204c9a2fa0387b42b9c97ce4675
https://doi.org/10.1002/qsar.200630037
https://doi.org/10.1002/qsar.200630037
Autor:
Rieko Nakata, Hiroyasu Inoue, Kiyoshi Fukuhara, Hiroshi Yamashita, Yoshie Takizawa, Hideo Kubodera
Publikováno v:
PLoS ONE
PLoS ONE, Vol 10, Iss 3, p e0120865 (2015)
PLoS ONE, Vol 10, Iss 3, p e0120865 (2015)
Long-term moderate consumption of red wine is associated with a reduced risk of developing lifestyle-related diseases such as cardiovascular disease and cancer. Therefore, resveratrol, a constituent of grapes and various other plants, has attracted s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38e4cb4e7f4f03cab866b4ff6763e4be
https://pubmed.ncbi.nlm.nih.gov/25798826
https://pubmed.ncbi.nlm.nih.gov/25798826
Autor:
Ryoichi Ando, Satoshi Yuki, Takuro Niwa, Takahide Kaji, Hiroaki Ueno, Hideo Kubodera, Ken-Ichi Saito, Jun-ichi Eguchi, Kenji Fukunaga, Shoichi Asano, Fumiaki Uehara, Keiichi Aritomo, Shinji Sunada, Aya Shoda, Masaki Shinoda, Shinji Tanaka, Yukimi Yoneyama, Kazutoshi Watanabe
Publikováno v:
Bioorganicmedicinal chemistry letters. 23(24)
The discovery of a series of 6-(4-pyridyl)pyrimidin-4(3H)-ones derived from a hit compound with low molecular weight and sufficient chemical space is reported. Transformation of substituents led to subnanomolar potent inhibitors with in vivo tau phos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56b5fb6d1bc6f131ecb58c4142b376e8
https://pubmed.ncbi.nlm.nih.gov/24094818
https://pubmed.ncbi.nlm.nih.gov/24094818
Autor:
Toshimitsu Kishimoto, Kunji Kawai, Yoshihiro Fuchigami, Wakako Watanabe, Hideo Kubodera, Takahide Kaji, Sawako Yoshida
Publikováno v:
Biochemical and biophysical research communications. 395(2)
Apoptosis signal-regulating kinase 1 (ASK1) and ASK2 are both members of mitogen-activated protein kinase kinase kinase (MAP3K) family that are implicated in apoptotic cell death, stress responses, and various diseases. We have determined that NT2RI3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7439da232c3e716670d7257cbebe3975
https://pubmed.ncbi.nlm.nih.gov/20362554
https://pubmed.ncbi.nlm.nih.gov/20362554
Publikováno v:
Analytical Sciences. 7:857-860
The reason for the difference between the binding mechanisms of an anti-thrombosis drug, Argatroban ((2R, 4R)-4-methyl-1-[N2-((RS)-3-methyl-1, 2, 3, 4-tetrahydro-8-quinolinesulfonyl)-L-arginyl]-2-piperidine carboxylic acid, MQPA), and bovine basic pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d6a350e8a674cb8fcf497a810f641f42
https://doi.org/10.2116/analsci.7.supple_857
https://doi.org/10.2116/analsci.7.supple_857
Publikováno v:
Journal of Pharmacobio-Dynamics. 13:212-223
The transition state of acylation step of trypsin catalysis was determined by molecular orbital calculations. The calculations were carried out at the RHF-LCAO-SCF approximation level with double zeta basis set (plus polarization functions). The role
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa78520081e4231f16fe05608314fa51
https://doi.org/10.1248/bpb1978.13.212
https://doi.org/10.1248/bpb1978.13.212
Autor:
Toshiki Tanaka, Nobuyuki Nakajima, Tetsuo Sekiya, Osamu Hayaishi, Naomi Eguchi, Hideo Kubodera, Yoshihiro Urade, Hiroyuki Toh
Publikováno v:
Protein engineering. 9(12)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c1c872691bb56870b3676872747d185
https://pubmed.ncbi.nlm.nih.gov/9010921
https://pubmed.ncbi.nlm.nih.gov/9010921