ArticleJournal of the American Chemical Society2025
NMR-Based Rational Drug Design of G:G Mismatch DNA Binding Ligand Trapping Transient Complex via Disruption of a Key Allosteric Interaction.
Shuhei Sakurabayashi, Kyoko Furuita, Takeshi Yamada, Noriaki Sugiura, Makoto Nomura, Takanori Nakane, Akihiro Kawamoto, Genji Kurisu, Yohei Miyanoiri, Toshimichi Fujiwara and 2 more
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In one paragraphArticle in Journal of the American Chemical Society, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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1 · What the graph read from itWhat it found
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4 · The recordCorrections and comments
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5 · Who and what moneyAuthors and funding
12 authors.
Shuhei SakurabayashiDepartment of Regulatory Bioorganic Chemistry, The Institute of Scientific and Industrial Research (SANKEN), Osaka University, 8-1 Mihogaoka, Osaka, Ibaraki 567-0047, Japan.ORCID 0000-0001-6561-2356 Kyoko FuruitaInstitute for Protein Research, Osaka University, 3-2 Yamadaoka, Osaka, Suita 565-0871, Japan.
Takeshi YamadaDepartment of Regulatory Bioorganic Chemistry, The Institute of Scientific and Industrial Research (SANKEN), Osaka University, 8-1 Mihogaoka, Osaka, Ibaraki 567-0047, Japan.ORCID 0000-0003-3275-415X Noriaki SugiuraDepartment of Regulatory Bioorganic Chemistry, The Institute of Scientific and Industrial Research (SANKEN), Osaka University, 8-1 Mihogaoka, Osaka, Ibaraki 567-0047, Japan.
Makoto NomuraGraduate School of Biological Sciences, Nara Institute of Science and Technology, 8916-5 Takayama, Ikoma, Nara 630-0192, Japan.
Takanori NakaneInstitute for Protein Research, Osaka University, 3-2 Yamadaoka, Osaka, Suita 565-0871, Japan.
Akihiro KawamotoInstitute for Protein Research, Osaka University, 3-2 Yamadaoka, Osaka, Suita 565-0871, Japan.
Genji KurisuInstitute for Protein Research, Osaka University, 3-2 Yamadaoka, Osaka, Suita 565-0871, Japan.
Yohei MiyanoiriInstitute for Protein Research, Osaka University, 3-2 Yamadaoka, Osaka, Suita 565-0871, Japan.ORCID 0000-0001-6889-5160 Toshimichi FujiwaraInstitute for Protein Research, Osaka University, 3-2 Yamadaoka, Osaka, Suita 565-0871, Japan.ORCID 0000-0001-7739-3525 Kazuhiko NakataniDepartment of Regulatory Bioorganic Chemistry, The Institute of Scientific and Industrial Research (SANKEN), Osaka University, 8-1 Mihogaoka, Osaka, Ibaraki 567-0047, Japan.ORCID 0000-0002-1705-5265 Chojiro KojimaInstitute for Protein Research, Osaka University, 3-2 Yamadaoka, Osaka, Suita 565-0871, Japan.ORCID 0000-0003-2723-8249 Funding
No grant is acknowledged in the PubMed record.
6 · The paper itselfAbstract
Small molecules that bind to mismatched DNA have been applied in various fields, including nanotechnology, bioimaging, and therapeutics. However, the intrinsic dynamic nature of mismatched DNA complicates the prediction of structural changes upon ligand binding, hindering rational ligand design. In this study, NMR was used for structure-based drug design, with a focus on the G:G mismatch binder
Indexed as
Base Pair MismatchDNADrug DesignAllosteric SiteKineticsLigandsNuclear Magnetic Resonance, BiomolecularThermodynamicsDNALigands
Identifiers
PMID40245052
PMCPMC12046557
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