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  1. Article ; Online: [Partnership Activity for Neglected Tropical Diseases].

    Akao, Yuichiro / Ochida, Atsuko / Muranishi, Hiroya / Nomura, Izumi / Ichikawa, Takashi

    Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan

    2022  Volume 142, Issue 7, Page(s) 697–701

    Abstract: Delivering new medicines to patients suffering from Neglected Tropical Diseases (NTD) is a major challenge. There are various hurdles to be overcome, such as the large number of patients in a large number of different regions, the lack of marketability, ... ...

    Abstract Delivering new medicines to patients suffering from Neglected Tropical Diseases (NTD) is a major challenge. There are various hurdles to be overcome, such as the large number of patients in a large number of different regions, the lack of marketability, and resistance to medicines. Takeda Pharmaceutical Company Limited (Takeda) is following a corporate mission of "striving towards better health for patients worldwide though leading innovation in medicine". These guiding principles lead to the values of Integrity, Fairness, Honesty and Perseverance that make up what we call "Takeda-ism". As part of its contribution to R&D for NTDs, Takeda collaborates with global Product Development Partnerships (PDPs). In this symposium, the "Drug Discovery Booster" project to accelerate and expand discovery of new drugs for Leishmaniasis and Chagas disease with Drugs for Neglected Diseases initiative (DNDi) and other pharmaceutical companies is introduced. Proprietary compound libraries and the drug discovery expertise of various partners was applied to this new drug discovery approach. An overview of our research projects in malaria, tuberculosis, and NTD is also presented. In addition to these, Takeda's Access to Medicines (ATM) strategy and activities are introduced. Lastly, we discuss a new open innovation model which is accelerated by partnership with a variety of organizations and how Takeda achieves its sustainable development goal (SDG) targets.
    MeSH term(s) Drug Discovery ; Humans ; Neglected Diseases/drug therapy ; Pharmaceutical Preparations
    Chemical Substances Pharmaceutical Preparations
    Language Japanese
    Publishing date 2022-06-16
    Publishing country Japan
    Document type Journal Article
    ZDB-ID 200514-1
    ISSN 1347-5231 ; 0031-6903 ; 0372-7750 ; 0919-2085 ; 0919-2131
    ISSN (online) 1347-5231
    ISSN 0031-6903 ; 0372-7750 ; 0919-2085 ; 0919-2131
    DOI 10.1248/yakushi.21-00210-3
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  2. Article ; Online: Nonbisphosphonate inhibitors of Plasmodium falciparum FPPS/GGPPS.

    Kabeche, Stephanie / Aida, Jumpei / Akther, Thamina / Ichikawa, Takashi / Ochida, Atsuko / Pulkoski-Gross, Michael J / Smith, Mark / Humphries, Paul S / Yeh, Ellen

    Bioorganic & medicinal chemistry letters

    2021  Volume 41, Page(s) 127978

    Abstract: A series of novel thiazole-containing amides were synthesized. A structure-activity relationship study of these compounds led to the identification of potent and selective PfFPPS/GGPPS inhibitors with good in vitro ADME profiles. The most promising ... ...

    Abstract A series of novel thiazole-containing amides were synthesized. A structure-activity relationship study of these compounds led to the identification of potent and selective PfFPPS/GGPPS inhibitors with good in vitro ADME profiles. The most promising candidate molecules were progressed to mouse in vivo PK studies and demonstrated adequate free drug exposure to warrant further investigation.
    MeSH term(s) Antimalarials/chemical synthesis ; Antimalarials/chemistry ; Antimalarials/pharmacology ; Diphosphonates/chemical synthesis ; Diphosphonates/chemistry ; Diphosphonates/pharmacology ; Dose-Response Relationship, Drug ; Enzyme Inhibitors/chemical synthesis ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; Farnesyltranstransferase/antagonists & inhibitors ; Farnesyltranstransferase/metabolism ; Geranyltranstransferase/antagonists & inhibitors ; Geranyltranstransferase/metabolism ; Molecular Structure ; Parasitic Sensitivity Tests ; Plasmodium falciparum/drug effects ; Plasmodium falciparum/enzymology ; Structure-Activity Relationship
    Chemical Substances Antimalarials ; Diphosphonates ; Enzyme Inhibitors ; Geranyltranstransferase (EC 2.5.1.10) ; Farnesyltranstransferase (EC 2.5.1.29)
    Language English
    Publishing date 2021-03-22
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1063195-1
    ISSN 1464-3405 ; 0960-894X
    ISSN (online) 1464-3405
    ISSN 0960-894X
    DOI 10.1016/j.bmcl.2021.127978
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  3. Article ; Online: High-throughput screening of small-molecules libraries identified antibacterials against clinically relevant multidrug-resistant A. baumannii and K. pneumoniae.

    Blasco, Benjamin / Jang, Soojin / Terauchi, Hiroki / Kobayashi, Naoki / Suzuki, Shuichi / Akao, Yuichiro / Ochida, Atsuko / Morishita, Nao / Takagi, Terufumi / Nagamiya, Hiroyuki / Suzuki, Yamato / Watanabe, Toshiaki / Lee, Hyunjung / Lee, Sol / Shum, David / Cho, Ahreum / Koh, Dahae / Park, Soonju / Lee, Honggun /
    Kim, Kideok / Ropponen, Henni-Karoliina / Augusto da Costa, Renata Maria / Dunn, Steven / Ghosh, Sunil / Sjö, Peter / Piddock, Laura J V

    EBioMedicine

    2024  Volume 102, Page(s) 105073

    Abstract: Background: The current pipeline for new antibiotics fails to fully address the significant threat posed by drug-resistant Gram-negative bacteria that have been identified by the World Health Organization (WHO) as a global health priority. New ... ...

    Abstract Background: The current pipeline for new antibiotics fails to fully address the significant threat posed by drug-resistant Gram-negative bacteria that have been identified by the World Health Organization (WHO) as a global health priority. New antibacterials acting through novel mechanisms of action are urgently needed. We aimed to identify new chemical entities (NCEs) with activity against Klebsiella pneumoniae and Acinetobacter baumannii that could be developed into a new treatment for drug-resistant infections.
    Methods: We developed a high-throughput phenotypic screen and selection cascade for generation of hit compounds active against multidrug-resistant (MDR) strains of K. pneumoniae and A. baumannii. We screened compound libraries selected from the proprietary collections of three pharmaceutical companies that had exited antibacterial drug discovery but continued to accumulate new compounds to their collection. Compounds from two out of three libraries were selected using "eNTRy rules" criteria associated with increased likelihood of intracellular accumulation in Escherichia coli.
    Findings: We identified 72 compounds with confirmed activity against K. pneumoniae and/or drug-resistant A. baumannii. Two new chemical series with activity against XDR A. baumannii were identified meeting our criteria of potency (EC
    Interpretation: This work provides proof of principle for the screening strategy developed to identify NCEs with antibacterial activity against multidrug-resistant critical priority pathogens such as K. pneumoniae and A. baumannii. The screening and hit selection cascade established here provide an excellent foundation for further screening of new compound libraries to identify high quality starting points for new antibacterial lead generation projects.
    Funding: BMBF and GARDP.
    MeSH term(s) Humans ; High-Throughput Screening Assays ; Small Molecule Libraries/pharmacology ; Klebsiella pneumoniae ; Microbial Sensitivity Tests ; Anti-Bacterial Agents/pharmacology ; Escherichia coli ; Drug Resistance, Multiple, Bacterial
    Chemical Substances Small Molecule Libraries ; Anti-Bacterial Agents
    Language English
    Publishing date 2024-03-22
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 2851331-9
    ISSN 2352-3964
    ISSN (online) 2352-3964
    DOI 10.1016/j.ebiom.2024.105073
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  4. Article ; Online: Phosphorus ligands with a large cavity: synthesis of triethynylphosphines with bulky end caps and application to the rhodium-catalyzed hydrosilylation of ketones.

    Ochida, Atsuko / Sawamura, Masaya

    Chemistry, an Asian journal

    2007  Volume 2, Issue 5, Page(s) 609–618

    Abstract: Trialkynylphosphines substituted with bulky triarylsilyl groups at the alkyne termini were synthesized. The new phosphines P(C[triple chemical bond]CSiAr(3))(3) (Ar=3,5-tBu(2)-4-MeOC(6)H(2), 3,5-(Me(3)Si)(2)C(6)H(3)) are uncrowded near the phosphorus ... ...

    Abstract Trialkynylphosphines substituted with bulky triarylsilyl groups at the alkyne termini were synthesized. The new phosphines P(C[triple chemical bond]CSiAr(3))(3) (Ar=3,5-tBu(2)-4-MeOC(6)H(2), 3,5-(Me(3)Si)(2)C(6)H(3)) are uncrowded near the phosphorus atom but bulky in the distal region. As a result, they contain a large cavity, at the bottom of which the phosphine lone-pair electrons are located. The compounds are stable to oxidation by air and hydrolysis. DFT calculations suggested that the triethynylphosphines are good pi-acceptor ligands, comparable with P(OAr)(3). The trialkynylphosphines reacted with [{RhCl(cod)}(2)] (P/Rh=1.1:1) to give selectively the monophosphine-rhodium complex [RhCl(cod)P(C[triple chemical bond]CSiAr(3))(3)]. X-ray crystal-structure analysis revealed that the {RhCl(cod)} fragment is fully accommodated by the cavity of the phosphine ligand. Compared to the effect of analogues with smaller end caps and PPh(3), the trialkynylphosphines accelerated markedly the rhodium-catalyzed hydrosilylation of ketones with a triorganosilane. It is proposed that the higher catalytic activity observed with the holey phosphines is a result of the preferential formation of a monophosphine-rhodium species.
    Language English
    Publishing date 2007-05-04
    Publishing country Germany
    Document type Journal Article
    ISSN 1861-471X
    ISSN (online) 1861-471X
    DOI 10.1002/asia.200700006
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  5. Article ; Online: Collaborative Virtual Screening Identifies a 2-Aryl-4-aminoquinazoline Series with Efficacy in an

    Tawaraishi, Taisuke / Ochida, Atsuko / Akao, Yuichiro / Itono, Sachiko / Kamaura, Masahiro / Akther, Thamina / Shimada, Mitsuyuki / Canan, Stacie / Chowdhury, Sanjoy / Cao, Yafeng / Condroski, Kevin / Engkvist, Ola / Francisco, Amanda / Ghosh, Sunil / Kaki, Rina / Kelly, John M / Kimura, Chiaki / Kogej, Thierry / Nagaoka, Kazuya /
    Naito, Akira / Pairaudeau, Garry / Radu, Constantin / Roberts, Ieuan / Shum, David / Watanabe, Nao-Aki / Xie, Huanxu / Yonezawa, Shuji / Yoshida, Osamu / Yoshida, Ryu / Mowbray, Charles / Perry, Benjamin

    Journal of medicinal chemistry

    2023  Volume 66, Issue 2, Page(s) 1221–1238

    Abstract: Probing multiple proprietary pharmaceutical libraries in parallel via virtual screening allowed rapid expansion of the structure-activity relationship (SAR) around hit compounds with moderate efficacy ... ...

    Abstract Probing multiple proprietary pharmaceutical libraries in parallel via virtual screening allowed rapid expansion of the structure-activity relationship (SAR) around hit compounds with moderate efficacy against
    MeSH term(s) Humans ; Chagas Disease/drug therapy ; Trypanosoma cruzi ; Quinazolines/pharmacology ; Quinazolines/therapeutic use ; Structure-Activity Relationship ; Trypanocidal Agents/therapeutic use ; Trypanocidal Agents/pharmacokinetics
    Chemical Substances 4-aminoquinazoline ; Quinazolines ; Trypanocidal Agents
    Language English
    Publishing date 2023-01-06
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 218133-2
    ISSN 1520-4804 ; 0022-2623
    ISSN (online) 1520-4804
    ISSN 0022-2623
    DOI 10.1021/acs.jmedchem.2c00775
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  6. Article ; Online: Discovery and Structure-Activity Relationships of Quinazolinone-2-carboxamide Derivatives as Novel Orally Efficacious Antimalarials.

    Laleu, Benoît / Akao, Yuichiro / Ochida, Atsuko / Duffy, Sandra / Lucantoni, Leonardo / Shackleford, David M / Chen, Gong / Katneni, Kasiram / Chiu, Francis C K / White, Karen L / Chen, Xue / Sturm, Angelika / Dechering, Koen J / Crespo, Benigno / Sanz, Laura M / Wang, Binglin / Wittlin, Sergio / Charman, Susan A / Avery, Vicky M /
    Cho, Nobuo / Kamaura, Masahiro

    Journal of medicinal chemistry

    2021  Volume 64, Issue 17, Page(s) 12582–12602

    Abstract: A phenotypic high-throughput screen allowed discovery of quinazolinone-2-carboxamide derivatives as a novel antimalarial scaffold. Structure-activity relationship studies led to identification of a potent ... ...

    Abstract A phenotypic high-throughput screen allowed discovery of quinazolinone-2-carboxamide derivatives as a novel antimalarial scaffold. Structure-activity relationship studies led to identification of a potent inhibitor
    MeSH term(s) Administration, Oral ; Animals ; Antimalarials/chemistry ; Antimalarials/pharmacology ; Humans ; Malaria, Falciparum/drug therapy ; Mice ; Molecular Structure ; Plasmodium falciparum/drug effects ; Quinazolinones/chemistry ; Quinazolinones/pharmacology ; Structure-Activity Relationship
    Chemical Substances Antimalarials ; Quinazolinones
    Language English
    Publishing date 2021-08-26
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 218133-2
    ISSN 1520-4804 ; 0022-2623
    ISSN (online) 1520-4804
    ISSN 0022-2623
    DOI 10.1021/acs.jmedchem.1c00441
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  7. Article: Monocoordinating, Compact Phosphane Immobilized on Silica Surface: Application to Rhodium-Catalyzed Hydrosilylation of Hindered Ketones

    Hamasaka, Go / Ochida, Atsuko / Hara, Kenji / Sawamura, Masaya

    Angewandte Chemie. 2007 July 09, v. 46, no. 28

    2007  

    Language English
    Dates of publication 2007-0709
    Size p. 5381-5383.
    Publishing place Wiley-VCH Verlag
    Document type Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.200700947
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  8. Article: Monocoordinating, compact phosphane immobilized on silica surface: application to rhodium-catalyzed hydrosilylation of hindered ketones.

    Hamasaka, Go / Ochida, Atsuko / Hara, Kenji / Sawamura, Masaya

    Angewandte Chemie (International ed. in English)

    2007  Volume 46, Issue 28, Page(s) 5381–5383

    Language English
    Publishing date 2007
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.200700947
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  9. Article ; Online: Pharmacological inhibitory profile of TAK-828F, a potent and selective orally available RORγt inverse agonist.

    Shibata, Akira / Uga, Keiko / Sato, Takayuki / Sagara, Masaki / Igaki, Keiko / Nakamura, Yoshiki / Ochida, Atsuko / Kono, Mitsunori / Shirai, Junya / Yamamoto, Satoshi / Yamasaki, Masashi / Tsuchimori, Noboru

    Biochemical pharmacology

    2018  Volume 150, Page(s) 35–45

    Abstract: Retinoic acid-related orphan receptor γt (RORγt) is a key master regulator of the differentiation and activation of IL-17 producing ... ...

    Abstract Retinoic acid-related orphan receptor γt (RORγt) is a key master regulator of the differentiation and activation of IL-17 producing CD4
    MeSH term(s) Administration, Oral ; Animals ; Cells, Cultured ; Dose-Response Relationship, Drug ; Drug Inverse Agonism ; Female ; Humans ; Interleukin-17/antagonists & inhibitors ; Interleukin-17/physiology ; Lipopolysaccharide Receptors/antagonists & inhibitors ; Lipopolysaccharide Receptors/physiology ; Mice ; Mice, Inbred BALB C ; Mice, SCID ; Nuclear Receptor Subfamily 1, Group F, Member 3/agonists ; Nuclear Receptor Subfamily 1, Group F, Member 3/physiology ; Th17 Cells/drug effects ; Th17 Cells/physiology
    Chemical Substances Interleukin-17 ; Lipopolysaccharide Receptors ; Nuclear Receptor Subfamily 1, Group F, Member 3
    Language English
    Publishing date 2018-01-31
    Publishing country England
    Document type Journal Article
    ZDB-ID 208787-x
    ISSN 1873-2968 ; 0006-2952
    ISSN (online) 1873-2968
    ISSN 0006-2952
    DOI 10.1016/j.bcp.2018.01.023
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  10. Article ; Online: Biochemical Properties of TAK-828F, a Potent and Selective Retinoid-Related Orphan Receptor Gamma t Inverse Agonist.

    Nakagawa, Hideyuki / Koyama, Ryoukichi / Kamada, Yusuke / Ochida, Atsuko / Kono, Mitsunori / Shirai, Junya / Yamamoto, Satoshi / Ambrus-Aikelin, Geza / Sang, Bi-Ching / Nakayama, Masaharu

    Pharmacology

    2018  Volume 102, Issue 5-6, Page(s) 244–252

    Abstract: Background/aims: Retinoid-related orphan receptor gamma t (RORγt) is a master regulator of T helper 17 cells that plays a pivotal role in the production of inflammatory cytokines including interleukin (IL)-17. Therefore, RORγt has attracted much ... ...

    Abstract Background/aims: Retinoid-related orphan receptor gamma t (RORγt) is a master regulator of T helper 17 cells that plays a pivotal role in the production of inflammatory cytokines including interleukin (IL)-17. Therefore, RORγt has attracted much attention as a target receptor for the treatment of inflammatory diseases including rheumatoid arthritis, multiple sclerosis, inflammatory bowel diseases, and psoriasis. This study aims to characterize TAK-828F, a potent and selective RORγt inverse agonist.
    Methods: The biochemical properties of TAK-828F were evaluated using Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) binding assay, surface plasmon resonance (SPR) biosensor assay, cofactor recruitment assay, reporter assay, and IL-17 expression assay.
    Results: TR-FRET binding assay and SPR biosensor assay revealed rapid, reversible, and high affinity binding of TAK-828F to RORγt. The cofactor recruitment assay showed that TAK-828F inhibited the recruitment of steroid receptor coactivator-1 to RORγt. Furthermore, TAK-828F inhibited the transcriptional activity of human and mouse RORγt with selectivity against human RORα and RORβ. TAK-828F also suppressed IL-17 production in Jurkat cells, overexpressing human RORγt.
    Conclusion: These favorable properties will be of advantage in the evaluation of TAK-828F in clinical studies for inflammatory diseases. Furthermore, these findings demonstrate that TAK-828F could serve as a pharmacological tool for further studies of RORγt and inflammatory diseases.
    MeSH term(s) Animals ; Benzofurans/chemistry ; Benzofurans/pharmacokinetics ; Benzofurans/pharmacology ; Chromatography, Affinity ; Fluorescence Resonance Energy Transfer ; Humans ; Interleukin-17/metabolism ; Jurkat Cells ; Kinetics ; Mice ; Orphan Nuclear Receptors/agonists ; Orphan Nuclear Receptors/metabolism ; Protein Binding ; Sulfones/chemistry ; Sulfones/pharmacokinetics ; Sulfones/pharmacology ; Transcriptional Activation
    Chemical Substances Benzofurans ; Interleukin-17 ; Orphan Nuclear Receptors ; Sulfones ; TAK-875
    Language English
    Publishing date 2018-08-22
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 206671-3
    ISSN 1423-0313 ; 0031-7012
    ISSN (online) 1423-0313
    ISSN 0031-7012
    DOI 10.1159/000492226
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