Selected article for: "active site and free energy"
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_52
    Snippet: Azadirachtin (Fig. 1F ) was bound at the active site of HBV Pol through four hydrogen bonds with Ser117, Arg120 andArg153 (Fig. 7F) . It also forms one carbon hydrogen bond with Glu1. Moreover, the complex between azadiractin and HBV Pol was further stabilized by three hydrophobic interactions with Pro5 and His156. Other residues that surrounded azadiractin were Asp2, Trp3, Ser40, Leu42, Asn118, Ser119, Leu147, Leu157 and Tyr158. The Gibb's free .....
    Document: Azadirachtin (Fig. 1F ) was bound at the active site of HBV Pol through four hydrogen bonds with Ser117, Arg120 andArg153 (Fig. 7F) . It also forms one carbon hydrogen bond with Glu1. Moreover, the complex between azadiractin and HBV Pol was further stabilized by three hydrophobic interactions with Pro5 and His156. Other residues that surrounded azadiractin were Asp2, Trp3, Ser40, Leu42, Asn118, Ser119, Leu147, Leu157 and Tyr158. The Gibb's free energy of azadirachtin-Pol interaction was found to be À8.1 kcal/mol, corresponding to a binding constant of 8.7 Â 10 5 /mol (Table 2) .

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