Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Masatake Sugita"'
Autor:
Yuki Hosono, Satoshi Uchida, Moe Shinkai, Chad E. Townsend, Colin N. Kelly, Matthew R. Naylor, Hsiau-Wei Lee, Kayoko Kanamitsu, Mayumi Ishii, Ryosuke Ueki, Takumi Ueda, Koh Takeuchi, Masatake Sugita, Yutaka Akiyama, Scott R. Lokey, Jumpei Morimoto, Shinsuke Sando
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-14 (2023)
Naturally occurring peptides with high membrane permeability often have backbone ester bonds. Here, the authors investigated the effect of an amide-to-ester substitution on membrane permeability of peptides and found the substitution is useful for im
Externí odkaz:
https://doaj.org/article/a59489e908164722a8c86ea5023eb75f
Publikováno v:
Molecules, Vol 26, Iss 2, p 271 (2021)
There are two molecular processes that are essential for living bodies to maintain their life: the molecular recognition, and the self-organization or self-assembly. Binding of a substrate by an enzyme is an example of the molecular recognition, whil
Externí odkaz:
https://doaj.org/article/d71ffaae38ad4c7cae802bf898c030ce
Publikováno v:
Journal of Chemical Information and Modeling. 63:2240-2250
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3c6965b9c949749f64b2a5a43c64cb3
https://doi.org/10.1021/acs.jcim.2c01573
https://doi.org/10.1021/acs.jcim.2c01573
Autor:
Masatake Sugita, Fumio Hirata
Publikováno v:
Journal of Computational Chemistry. 44:1031-1039
A new theoretical method, referred to as Generalized Langevin Mode Analysis (GLMA), is proposed to analyze the mode of structural fluctuations of a biomolecule in solution. The method combines the two theories in the statistical mechanics, or the Gen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60cc094213ddf4ce72599e8ca0515679
https://doi.org/10.1002/jcc.27062
https://doi.org/10.1002/jcc.27062
Autor:
Masahito Ohue, Takuya Fujie, Keisuke Yanagisawa, Yasushi Yoshikawa, Masatake Sugita, Yutaka Akiyama, Satoshi Sugiyama
Publikováno v:
Journal of Chemical Information and Modeling. 61:3681-3695
Membrane permeability is a significant obstacle facing the development of cyclic peptide drugs. However, membrane permeation mechanisms are poorly understood. To investigate common features of permeable (and nonpermeable) designs, it is necessary to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70b8e58116b4a5aa262d16b4725089f3
https://doi.org/10.1021/acs.jcim.1c00380
https://doi.org/10.1021/acs.jcim.1c00380
Autor:
Fumio Hirata, Taishi Higashi, Masatake Sugita, Hidetoshi Arima, Izumi Kuwano, Keiichi Motoyama
Publikováno v:
The Journal of Physical Chemistry B. 125:2308-2316
The binding affinity of the beta-cyclodextrin (β-CyD) derivatives with Doxorubicin (Dox) is evaluated by means of the 3D-RISM/KH theory combined with the molecular dynamics simulation in order to screen the compounds for suppressing a side-effect of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed6a90a564bba3dc03562b83b6932428
https://doi.org/10.1021/acs.jpcb.1c00373
https://doi.org/10.1021/acs.jpcb.1c00373
Publikováno v:
Journal of Chemical Theory and Computation. 16:2864-2876
An efficient algorithm to find the binding position and mode of small ligands bound at an active site of protein is proposed based on the spatial distribution function (SDF) obtained from the three-dimensional reference interaction site model (3D-RIS
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::afd33d43d799401a19035c05f6211ccc
https://doi.org/10.1021/acs.jctc.9b01069
https://doi.org/10.1021/acs.jctc.9b01069
Autor:
Tomoko Ohta, Yuki Kondo, Tsuyoshi Shuto, Yusei Yamada, Yorihisa Orita, Hirofumi Kai, Toru Takeo, Yuki Kurauchi, Masatake Sugita, Muneaki Matsuo, Katsumi Higaki, Takumi Era, Takahiro Seki, Toru Miwa, Fumio Hirata, Takeshi Kikuchi, Shunsuke Kamei, Asami Nishiyama, Hidetoshi Arima, Yuji Hayashino, Taishi Higashi, Yoichi Ishitsuka, Hiroki Takeda, Hiroshi Katsuki, Keiichi Motoyama, Shuichi Nakahara, Kousaku Ohno, Tetsumi Irie, Naomi Nakagata, Shirou Matsumoto
Publikováno v:
British journal of pharmacologyREFERENCES. 178(13)
Background and purpose Niemann-Pick disease type C (NPC) is a lysosomal storage disorder with disrupted intracellular cholesterol trafficking. A cyclic heptasaccharide, 2-hydroxypropyl-β-cyclodextrin (HP-β-CD), is a cholesterol solubilizer that is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c8875a9a4bfc2ebb29060cda19a5c42
https://pubmed.ncbi.nlm.nih.gov/33782944
https://pubmed.ncbi.nlm.nih.gov/33782944
Publikováno v:
Molecules
Molecules, Vol 26, Iss 271, p 271 (2021)
Molecules, Vol 26, Iss 271, p 271 (2021)
There are two molecular processes that are essential for living bodies to maintain their life: the molecular recognition, and the self-organization or self-assembly. Binding of a substrate by an enzyme is an example of the molecular recognition, whil
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d67ac04948a4870c39a55663a1502e25
http://europepmc.org/articles/PMC7826681
http://europepmc.org/articles/PMC7826681
Publikováno v:
Seibutsu Butsuri. 57:299-301
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::765c47128c3de534cf742c7bbb901cbb
https://doi.org/10.2142/biophys.57.299
https://doi.org/10.2142/biophys.57.299