Symposium

[S15] Challenges facing middle molecule drug discovery and how to overcome them

Sun. Mar 26, 2023 1:50 PM - 3:50 PM [Room M1] The Alumni Hall "Frate": Hall (1F)

Organizer: Hiroyuki Miyachi, Katsumi Maenaka

In recent years, organic compounds with a molecular weight of about 500 to 2000, so-called middle molecules, are expected as one of promising drug discovery modalities. In particular, there are great expectations for its usefulness in the creation of pharmaceuticals based on the control of signal transduction, originating from intracellular protein-protein interactions. However, to accelerate middle molecule drug discovery, it is necessary to understand and overcome problems specific to middle molecules. In particular, the low solubility and low membrane permeability of middle molecules are associated with the characteristics of high-molecular compounds such as antibodies. What kind of approach would be effective? There are various chemotypes such as alkaloids, peptides, and oligonucleic acids, even though they are middle molecules. We thought it important to "collect, synthesize, analyze based on a unified method, organize and integrate the results, share and utilize information" of various chemotype medium molecules. Therefore, we developed multifaceted middle molecule research by a heterogeneous group of researchers with different specialties. In this symposium, we will report on these results.

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オーガナイザー趣旨説明：宮地弘幸（東大院薬附属創薬機構） (1:50 PM - 1:52 PM)

1:52 PM - 2:12 PM

[S15-01] Synthetic development in middle-molecular drug discovery research based on Ōmura natural products

○Tomoyasu Hirose^1,2, Masato Iwatsuki^1,2, Toshiaki Sunazuka^1,2 (1. Graduate School of Infection Control Sciences, Kitasato University, 2. Ōmura Satoshi Memorial Institute, Kitasato University)

2:12 PM - 2:33 PM

[S15-02] Synthesis and membrane permeability of middle size natural products and cyclic peptides

○Satoshi Ichikawa^1,2, Akira Katsuyama^1,2, Kazuki Yamamoto¹, Fumika Yakushiji^1,2, Mizuki Watanabe¹ (1. Faclt. Pharm. Sci. Hokkaido Univ., 2. GSD, Hokkaido Univ.)

2:33 PM - 2:50 PM

[S15-03] Evaluation of solubility and membrane permeability of middle-molecule compounds using artificial membranes and living cells

○Kayoko Kanamitsu¹, Mayumi Ishii¹, Eri Watanabe¹, Hiroyuki Miyachi¹ (1. DDI Grad Sch Pharm Sci Univ Tokyo)

2:50 PM - 3:09 PM

[S15-04] Development of integrated database for experiments and simulations

○Issaku Yamada¹, Naoki Kimura¹, Takao Nomura², Satoko Otsuguro², Hiroyuki Miyachi³, Yasuteru Shigeta⁴, Katsumi Maenaka² (1. The Noguchi Institute, 2. Faclt. Pharm. Sci. Hokkaido Univ., 3. DDI Grad Sch Pharm Sci Univ Tokyo, 4. Center Comp. Sci., Univ. Tsukuba)

3:09 PM - 3:28 PM

[S15-05] Application of cryo-EM to middle molecule drug discovery

○Shunsuke Kita¹, Katsumi Maenaka¹ (1. Faclt. Pharm. Sci. Hokkaido Univ.)

3:28 PM - 3:47 PM

[S15-06] Development of Membrane Permeability Coefficient by means of Novel Molecular Dynamics Methods

○Yasuteru Shigeta¹, Ryuhei Harada¹, Yuki Mitsuta² (1. Center for Computational Sciences, Univ. Tsukuba., 2. Grad. Sci., Osaka Metropolitan Univ.)

総括：宮地弘幸（東大院薬附属創薬機構） (3:47 PM - 3:50 PM)

Session information