How to expand the scale and diversity of chemical library

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  • 化合物数と多様性をめぐる医薬品ライブラリーの温故知新
  • カゴウ モノカズ ト タヨウセイ オ メグル イヤクヒン ライブラリー ノ オンコ チシン

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Abstract

Drug discovery has become an essential step for medical research. In this paper, we review the history of drug discovery, and discuss the technologies that we have learned through the research of natural products. First, the total synthesis of natural products led to the discovery of various organic synthetic methods, and the idea of CombiChem subsequently led to an explosion of synthetic compound libraries. Fortunately, Pubchem, ChEMBL, ZINC, and ChemSpider are available as open source. On the other hand, the CITES treaty regulates trade in plants and animals, making it impossible to expand the scale and diversity of natural compounds. Then, we will discuss recent advances in bacterial production systems for natural compounds that will lead to future expansion of chemical libraries. In addition, the possibility of using artificial intelligence (AI) in drug design to "evolve" compounds from their existing forms to more complex forms will be discussed.

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