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In silico analyses of essential interactions of iminosugars with HexA active site and evaluation of their pharmacological chaperone effect for Tay-Sachs disease

In these years, various modalities in drug discovery, including antibody drugs, PROTACs, and medium-sized drugs based on nucleic acids and peptides, have been emerging for drugging undruggable targets which are hard to drug in traditional drug discovery program (Angew. Chem. Int. Ed. 2017, 56, 10294; ACS Med. Chem. Lett. 2020, 11, 228). Recently, chemical manipulation of the conformation of the molecules such as small molecules, nucleic acid, and proteins, by means of conformational fixation and induction of conformational changes has been attracting medicinal chemists and has been opening up a new approach toward a novel modality in drug discovery. In this symposium entitled "Structural Pharmaceutical Science: Structural Manipulation of Molecules for Drug Discovery," five researchers with a passion for working on structural manipulation of molecules using different methodologies will be giving talks on their own state-of-the-art technology. The symposiasts come from variety research fields not only pharmaceutical science but also other fields, and the symposium is hoped to intensify the activities of the heterogeneous community of structural pharmaceutical science.

Structural Pharmaceutical Science: Structural Manipulation of Molecules for Drug Discovery

The 143rd Annual Meeting of the Pharmaceutical Society of Japan (Sapporo)

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[S16-05]In silico analyses of essential interactions of iminosugars with HexA active site and evaluation of their pharmacological chaperone effect for Tay-Sachs disease

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