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COVID19 Taiwan NHI Drug Data Repository by Taiwan AI Labs Intelligent Medical Genomics Team

image

COVID19 基因組結構名稱,總共24個蛋白質

  • 3CL-protease inhibitor (3CL-Pro)
  • RNA-dependent RNA polymerase (RdRp) inhibitor
  • Helicase inhibitor (Hel)
  • Spike protein
  • Papain-like protease
  • nsp1
  • Non-structureal protein 2 (nsp2)
  • Non-structureal protein 4 (nsp4)
  • Non-structureal protein 6 (nsp6)
  • Non-structureal protein 7 (nsp7)
  • Non-structureal protein 8 (nsp8)
  • Non-structureal protein 9 (nsp9)
  • Guanine-N7 methyltransferase (ExoN)
  • Uridylate-specific endoribonuclease (NendoU)
  • 2'-O-methyltransferase (2'-O-MT)
  • Surface glycoprotein (S)
  • ORF3a
  • E. protein
  • M. protein
  • ORF6.
  • ORF7a.
  • ORF8.
  • N. protein
  • ORF10.
  • ACE2 protein (for Human)

我們現階段已經完成 docking 3CL-proteaseRdRpHelicaseSpike protein

健保藥物結果

從健保藥物的清單中總共取得 2,832 個不同的藥物 ( 187,489 種商品 ),分成 3CL-Protease、RdRp、Helicase 及 Spike protein 進行 docking 50次,取2倍標準差外的數值結果。

  • 3CL-Protease 篩選出 13 種最好的藥物 (176種商品)
  • RdRp inhibitor 篩選出 10 種最好的藥物 (588種商品)
  • Helicase inhibitor 篩選出 11 種最好的藥物 (47種商品)
  • Spike protein 篩選出 5 種最好的藥物 (34種商品)

💊 如果您對台灣的健保藥物有興趣,我們提供完整的清單可以自行下載,申請連結

FDA 藥物結果

ZINC15 取得 1,615 個不同的藥物,其中有570藥物與台灣健保藥物重複,我們提供 3CL-Protease、RdRp、與 Helicase docking binding affinity 結果。

📣 新增 ZINC compound structure


Publication:


Tools:


Data sources:


Contributors:

  • Taiwan AI Labs Intelligent Medcial Genomics Team

    • AI Labs Founder
      • Ethan Tu
    • Professor
      • Dr. Chien-Yu Chen (Department of Biomechatronics Engineering, National Taiwan University)
    • Project Manager
      • Dr. Yin-Hung Lin
    • Business Development Manager
      • Philippe, Yu-Hsiang Lin
    • Algorithm Engineer
      • Dr. Chester, Yu-Chuan Chang
      • Yi-An Tung
      • MD. Ko-Han Lee
      • Ting-Fu Chen
      • Yu-Chun Hsiao
      • Hung-Ching Chang
      • Tsung-Ting Hsieh
      • Shang-Shung Shih
      • Yi Hsiao
    • System Engineer
      • Rey, Chan-Hung Su
      • Amber, Su-Shia Wang
      • Jerry, Jheng-Ying Yu
  • Graduate Institute of Data Science, College of Management, Taipei Medical University

    • Professor
      • Dr. Chun-Wei Tung
  • Department of Life Science, National Taiwan University

    • Professor
      • Dr. Hsueh-Fen Juan and J&H Systems Bio Lab
  • Department of Agricultural Chemistry, National Taiwan University

    • Professor
      • Dr. Chun-Hua Hsu
  • Institute of Biotechnology and Pharmaceutical, National Health Research Institute

    • Investigator
      • Dr. Chiung-Tong Chen
      • Dr. Ming-Shir Hung
      • Dr. Hsing-Pang Hsieh
  • Institute of Biomedical Sciences, Academia Sinica

    • Professor
      • Dr. Ming-Jing Hwang

Contace Us:


Terms of Use:

這個GitHub存儲庫及其內容,包括所有釋出數據、藥物資料分析結果版權為台灣人工智慧實驗室所有,保留所有權利,僅提供公眾教育與學術研究使用。我們所使用的藥物資訊來自多個公開可用資料庫,這些資料的內容並非一致。台灣人工智慧實驗室特此聲明,對結果不做任何聲明和保證,包括準確性,適用性和適銷性。本研究結果採創用CC授權條款姓名標示─非商業性─相同方式分享 4.0 國際 (CC BY-NC-SA 4.0)

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