MEDCHEM NEWS
Online ISSN : 2432-8626
Print ISSN : 2432-8618
ISSN-L : 2432-8618
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Volume 32, Issue 1
Displaying 1-15 of 15 articles from this issue
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  • JCR Pharma’s Drug Development “Let’s give it a shot !”
    Hiroyuki Sonoda, Kenichi Takahashi, Tohru Hirato
    2022 Volume 32 Issue 1 Pages 7-11
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_7
    JOURNAL FREE ACCESS
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    JCR Pharmaceuticals was established in 1975 by Shin Ashida, who is the current Chairman, President and CEO. Since its establishment, JCR has consistently devoted itself to biotechnology industry. At the time of foundation, JCR developed its capability of protein purification by isolating bioactive protein from urine, and then put their focus on recombinant protein medicine by gene modification. Throughout the years, JCR has been working in the spirit of “Let’s give it a shot!”, which led to a success of creating its original technology. Today JCR is enhancing development in rare disease area with its proprietary technology. JCR is also working on cell therapy, regenerative medicine and gene therapy to develop a game-changing new drug. In this article, we would like to overview history of research and drug development at JCR and also introduce opportunities in the future.
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WINDOW
  • Rgenta: a bioinformatics enabled approach to RNA drug discovery
    Yoshihide Ishii, Hirotaka Kamitani, Masaya Orita, Kazunobu Aoyama
    2022 Volume 32 Issue 1 Pages 12-15
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_12
    JOURNAL FREE ACCESS
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    RNA modulation holds potential to ‘drug the undruggable’ targets. RNA-RBP complexes have potential to be druggable targets where small molecules acting as ‘molecular glue’ influence splice modulation of mRNA transcripts. The pockets exist in a moment in time when the RBP and a specific sequence of mRNA comes in proximity for the molecular glue to take action. This scenario is attractive among various approaches because （1）the RBP provides a stable element for the small molecule to interact with, （2）the specific mRNA sequence provides specificity to the molecular glue interaction, and （3）splicing scenarios such as poison exon insertion, or exon skipping may enable potent pharmacological impact via knock down or restoration of function. Rgenta therapeutics leveraged proprietary bioinformatics and a robust suite of RNA-RBP specific med chem techniques to achieve consistent hits on classical undruggable targets, and a methodical approach to optimization.
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ESSAY
  • Robotics and AI accelerates remote automated life science
    Tohru Natsume
    2022 Volume 32 Issue 1 Pages 16-20
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_16
    JOURNAL FREE ACCESS
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    The true value of robotics in life science is implementation of bio-digital transformation （Bio-DX）. Robots enable to visualize and digitize maneuvers and skills of humans, leading to parameterize tacit knowledge, which allows us to optimize protocols. And researchers can share and reproduce these optimized protocols with robotics, leading to raise research productivity exponentially and realize flat/open science.
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  • In silico drug repositioning for supporting drug discovery
    Takatsugu Hirokawa
    2022 Volume 32 Issue 1 Pages 21-25
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_21
    JOURNAL FREE ACCESS
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    The increase of protein 3D structure information by structural genomics and protein 3D structure prediction technology, coupled with the development of computational science technology, has attracted attention to in silico drug repositioning that utilizes protein 3D structure information and in silico drug discovery technology. Drug repositioning is also an important strategy in the development of therapeutic agents for emergent infectious diseases and other contingencies, and in silico drug repositioning is expected to help narrow down effective drug candidates and elucidate their mechanisms of action. In this article, we will outline in silico drug repositioning, and then discuss examples of in silico drug repositioning for COVID-19 drug discovery based on protein structure information and future prospects.
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  • Recent advances in drug design by structure generator
    Kazuma Kaitoh, Yoshihiro Yamanishi
    2022 Volume 32 Issue 1 Pages 26-30
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_26
    JOURNAL FREE ACCESS
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    A structure generator is an algorithm that creates new molecular structures according to the initial conditions toward de novo drug design. We introduce two major types of structure generators: building block-based structure generator and deep learning-based structure generator. Recently, omics-based drug discovery has received much attention from the pharmaceutical industry and academia. We propose a novel computational method for omics-based de novo drug design via the integration of transcriptome data analysis and molecular generative models, which we call TRIOMPHE（transcriptome-based inference and generation of Molecules with desired phenotypes）.
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  • Machine-learning Assisted Optimization of Reaction Conditions
    Hiroaki Sasai
    2022 Volume 32 Issue 1 Pages 31-35
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_31
    JOURNAL FREE ACCESS
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    Machine-learning assisted simultaneous multi-parameter screening is described. After brief experimental screening, Gaussian process regression could rapidly predict the optimal conditions for a sequential organocatalyzed Rauhut-Currier and ［3+2］ annulation sequence in a flow reaction system. In addition, Bayesian optimization was successfully applied to an electrochemical oxidation of amines to imines. The concentration of the substrate and electrolite, current, reaction time, and reaction temperature were optimized using six experimental data.
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  • Digital transformation by combining AI and robotics for modality research in drug discovery
    Kazuhisa Tsunoyama, Hironori Harada
    2022 Volume 32 Issue 1 Pages 36-40
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_36
    JOURNAL FREE ACCESS
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    The efficient discovery of novel drug modalities, which are rapidly diversifying, requires a digital transformation of discovery processes. While robotics and informatics methods have been introduced over the past years, the transformation can be achieved by smoothly combining them with each other, incorporating the recent innovative advances in artificial intelligence. At the current level of technology, collaboration between humans and artificial intelligence, and between humans and robots, are important, and it is essential not only to introduce technology, but also to create mechanisms to encourage this collaboration. We are transforming the entire discovery process, starting with the discovery of small molecule modalities. By applying similar approach to other modality research in the future, we believe that we can further improve the productivity for the discovery of a wide variety of drug modalities.
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SEMINAR
  • Development of efficient synthetic methods and applications of deuterium-labeled compounds in pharmaceuticals and industry
    Hironao Sajiki, Tsuyoshi Yamada, Takashi Ikawa
    2022 Volume 32 Issue 1 Pages 41-46
    Published: February 01, 2022
    Released on J-STAGE: February 01, 2022
    DOIhttps://doi.org/10.14894/medchem.32.1_41
    JOURNAL FREE ACCESS
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    A deuterium-labeled compound has received the slightest functional group conversion, simply converting C-H within the molecule to C-D. However, there is a difference of about twice in mass number between H and D compared to various other stable isotopes, and the isotope effect is inevitably more significant. Even more, the difference will be more pronounced in multiple deuterium-labeled compounds. In particular, research on enhancing the functionality of unlabeled compounds by utilizing changes in mass and binding stabilizing effects has been actively carried out, and one of them is the development of deuterium-labeled drugs （heavy drugs）. This paper will introduce some examples of high functionalization by deuterium labeling and outline the achievement status of the deuterium labeling method.
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