2022年
AI and computational chemistry-accelerated development of an alotaketal analogue with conventional PKC selectivity
Chemical Communications
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- 巻
- 58
- 号
- 47
- 開始ページ
- 6693
- 終了ページ
- 6696
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1039/d2cc01759h
- 出版者・発行元
- Royal Society of Chemistry (RSC)
We have designed and synthesized a new PKC ligand with a novel skeleton based on alotaketals through in silico screening, docking analysis, and molecular dynamics simulation. The new ligand has a higher affinity for PKCα-C1A than for PKCδ-C1B.
- リンク情報
- ID情報
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- DOI : 10.1039/d2cc01759h
- ISSN : 1359-7345
- eISSN : 1364-548X