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Artificial Intelligence-Driven High-Throughput Small Molecule Screening and Rapid High-Resolution Cryo-Electron Microscopy Target Validation Optimized to Accelerate Novel Drug Discovery against Influenza and Cancer

Project: National Science and Technology CouncilNational Science and Technology Council Academic Grants

Project Details

Abstract

藥物的開發極為耗時及昂貴,我們組成一個臺灣-印度-日本的跨國團隊,嘗試藉助人工智慧的輔助,以更為經濟、迅速的方式完成新藥物的早期開發。本研究選定兩種疾病同步進行研發:流感及癌症,這兩種疾病對逐漸老齡化的社會將有日漸嚴重的影響,期望藉本研究加速相關藥物開發。研究將先以人工智慧(AI)輔助的分子對接,以電腦分析找出具有潛力的分子;以細胞實驗測試這些分子的生物活性;透過高解析度、深度學習的冷凍電子顯微鏡確認分子的結合目標;透過AI輔助的化學工程最佳化這些潛在藥物;最後再以動物實驗結合AI確認分子的藥物動力學及毒理學。希望可以透過此跨國、跨領域的合作建立一條藥物開發的高速公路,並將各國最新、最頂尖的科技引薦進入臺灣,增加臺灣在生醫研發領域的技術儲備以及國際知名度。

Project IDs

Project ID:PC11410-3785
External Project ID:NSTC114-3114-B182-001
StatusFinished
Effective start/end date01/09/2531/05/26

Keywords

  • artificial intelligence (AI)
  • machine learning (ML)
  • cryo-electron microscopy (cryo-EM)
  • influenza
  • breast cancer
  • RNA-dependent RNA polymerase (RdRp)
  • anaphase-promoting complex/cyclosome (APC/C)

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