Selected article for: "kcal mol free energy and molecular docking"
Author: Parvez, Mohammad K.; Tabish Rehman, Md.; Alam, Perwez; Al-Dosari, Mohammed S.; Alqasoumi, Saleh I.; Alajmi, Mohammed F.
Title: Plant-derived antiviral drugs as novel hepatitis B virus inhibitors: Cell culture and molecular docking study
  • Document date: 2018_12_26
    • ID: xibqsjib_68
    Snippet: The active principle of Embelia schimperi, embelin is shown to inhibit hepatitis C virus (HCV) serine protease activity (Hussein et al., 2000) . In this report, our in vitro assessment has revealed the novel antiviral property of embelin against HBV. In molecular docking, embelin formed complex with HBV Pol through Trp3, Pro5, Lys32 and His160 with an estimated free energy À6.1 kcal/mol......
    Document: The active principle of Embelia schimperi, embelin is shown to inhibit hepatitis C virus (HCV) serine protease activity (Hussein et al., 2000) . In this report, our in vitro assessment has revealed the novel antiviral property of embelin against HBV. In molecular docking, embelin formed complex with HBV Pol through Trp3, Pro5, Lys32 and His160 with an estimated free energy À6.1 kcal/mol.

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