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Boesenbergia rotunda–Derived Phytochemicals as Potent Inhibitors of SARS-CoV-2 Papain–Like Protease (PLpro): Insights From Molecular Docking and Dynamic Simulation

  • Dhrubo Ahmed Khan
  • , Mohammad Ashik Sheikh
  • , Raihan Rahman Imon
  • , Md Imtiaz
  • , Shamin Ahmed
  • , Harasit Gharami
  • , Ryan V. Labana
  • , Tajudeen O. Jimoh
  • , Anand Gaurav
  • , Maria L. Pereira
  • , Muhammad Nawaz
  • , Julieta Z. Dungca
  • , Md Nazmul Hasan
  • , Manik Ghosh
  • , Veeranoot Nissapatorn*
  • *Corresponding author for this work
  • Jashore University of Science and Technology
  • Polytechnic University of the Philippines
  • Icahn School of Medicine at Mount Sinai
  • University of Petroleum and Energy Studies
  • University of Aveiro
  • Centro Escolar University
  • Birla Institute of Technology, Mesra
  • Walailak University

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