Zobrazeno 1 - 10
of 159
pro vyhledávání: '"Yoshifumi Fukunishi"'
Publikováno v:
ACS Omega, Vol 9, Iss 3, Pp 3412-3422 (2024)
Externí odkaz:
https://doaj.org/article/98a8a6c2f13148a6a5f0f52cfc6c8d76
Publikováno v:
Biophysics and Physicobiology, Vol 20 (2023)
A small and flexible molecule, ribocil A (non-binder) or B (binder), binds to the deep pocket of the aptamer domain of the FMN riboswitch, which is an RNA molecule. This binding was studied by mD-VcMD, which is a generalized-ensemble simulation metho
Externí odkaz:
https://doaj.org/article/e8265a9960b846cb994a8390424574d0
Autor:
Junichi Higo, Kota Kasahara, Gert-Jan Bekker, Benson Ma, Shun Sakuraba, Shinji Iida, Narutoshi Kamiya, Ikuo Fukuda, Hidetoshi Kono, Yoshifumi Fukunishi, Haruki Nakamura
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-19 (2022)
Abstract A GA-guided multidimensional virtual-system coupled molecular dynamics (GA-mD-VcMD) simulation was conducted to elucidate binding mechanisms of a middle-sized flexible molecule, bosentan, to a GPCR protein, human endothelin receptor type B (
Externí odkaz:
https://doaj.org/article/07b56a258af1478fb2760e436655ec63
Autor:
Masami Lintuluoto, Mitsumasa Abe, Yota Horioka, Yoshifumi Fukunishi, Hideki Tamura, Juha M. Lintuluoto
Publikováno v:
Biophysics and Physicobiology, Vol 19 (2022)
Neuropsin is one of serine proteases mainly found at the hippocampus and the amygdala, where it contributes to the long-term potentiation and memory acquisition by rebuilding of synaptic connections. Despite of the importance of neuropsin, the substr
Externí odkaz:
https://doaj.org/article/8b3f27b0a20543c697785b05f5acc178
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
Abstract We have performed multicanonical molecular dynamics (McMD) based dynamic docking simulations to study and compare the binding mechanism between two medium-sized inhibitors (ABT-737 and WEHI-539) that bind to the cryptic site of Bcl-xL, by ex
Externí odkaz:
https://doaj.org/article/93ca643138724938b5efd96dcf24596e
Autor:
Tomonori Hayami, Narutoshi Kamiya, Kota Kasahara, Takeshi Kawabata, Jun-ichi Kurita, Yoshifumi Fukunishi, Yoshifumi Nishimura, Haruki Nakamura, Junichi Higo
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
Abstract A preceding experiment suggested that a compound, which inhibits binding of the REST/NRSF segment to the cleft of a receptor protein mSin3B, can be a potential drug candidate to ameliorate many neuropathies. We have recently developed an enh
Externí odkaz:
https://doaj.org/article/2898f8cc3360474e8e56e88ebf1a1694
Publikováno v:
ACS Omega, Vol 6, Iss 12, Pp 8045-8055 (2021)
Externí odkaz:
https://doaj.org/article/c73b0250a75e419191aa6f8a4b92f772
Autor:
Shinji Iida, Yoshifumi Fukunishi
Publikováno v:
BBA Advances, Vol 1, Iss , Pp 100016- (2021)
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been widely spread around the world. It is necessary to examine the viral proteins that play a notorious role in the invasion of our body. The main protease (3CLpro) facilitates the mat
Externí odkaz:
https://doaj.org/article/3ebe092fc09847c3a576cd7f815d464a
Autor:
Junichi Higo, Ayumi Kusaka, Kota Kasahara, Narutoshi Kamiya, Itaya Hayato, Xie Qilin, Takuya Takahashi, Ikuo Fukuda, Kentaro Mori, Yutaka Hata, Yoshifumi Fukunishi
Publikováno v:
Biophysics and Physicobiology, Vol 17 (2020)
We introduced a conformational sampling method in an earlier report: The multi-dimensional virtual-system coupled molecular dynamics (mD-VcMD) enhances conformational sampling of a biomolecular system by computer simulations. Herein, new sampling met
Externí odkaz:
https://doaj.org/article/aae9d644db17461f9bf2247cb5d9671e
Autor:
Ken-Ichiro Tanaka, Naoki Yamakawa, Yasunobu Yamashita, Teita Asano, Yuki Kanda, Ayaka Takafuji, Masahiro Kawahara, Mitsuko Takenaga, Yoshifumi Fukunishi, Tohru Mizushima
Publikováno v:
Frontiers in Pharmacology, Vol 9 (2018)
The standard treatment for chronic obstructive pulmonary disease is a combination of anti-inflammatory drugs and bronchodilators. We recently found that mepenzolate bromide (MP), an antagonist for human muscarinic M3 receptor (hM3R), has both anti-in
Externí odkaz:
https://doaj.org/article/5b550f05b51d4e2cb8a9c89e57e463fe