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Screening for a Potential Therapeutic Agent from the Herbal Formula in the 4th Edition of the Chinese National Guidelines for the Initial-Stage Management of COVID-19 via Molecular Docking.

Yue SunAngela Wei Hong YangAndrew HungGeorge Binh Lenon
Published in: Evidence-based complementary and alternative medicine : eCAM (2020)
Atractylenolide III is predicted to have a strong binding affinity with ACE2 and eligible pharmacokinetic properties, anti-inflammatory effects and antiviral effects in in vitro study, and high distribution on the lungs in in vivo study.
Keyphrases
  • molecular docking
  • coronavirus disease
  • molecular dynamics simulations
  • mass spectrometry
  • angiotensin converting enzyme