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_50
Snippet: Hesperidin (Fig. 1E ) interacted with HBV Pol by forming seven hydrogen bonds with Glu39, Ser40, Ser85 and Ser117, and one carbon hydrogen bond with His156 (Fig. 7E) . It also formed two Pi-Pi stacked hydrophobic interactions with Trp3, one alkyl hydrophobic interaction with Leu147 and one Pi-alkyl hydrophobic interaction with Ala86. Other residues that surrounded hesperidin were Glu1, Asp2, Gly4, Pro5, Arg15, Ala86, Asn118, Ser119, Arg120, Leu14.....
Document: Hesperidin (Fig. 1E ) interacted with HBV Pol by forming seven hydrogen bonds with Glu39, Ser40, Ser85 and Ser117, and one carbon hydrogen bond with His156 (Fig. 7E) . It also formed two Pi-Pi stacked hydrophobic interactions with Trp3, one alkyl hydrophobic interaction with Leu147 and one Pi-alkyl hydrophobic interaction with Ala86. Other residues that surrounded hesperidin were Glu1, Asp2, Gly4, Pro5, Arg15, Ala86, Asn118, Ser119, Arg120, Leu147, Arg153, His156, Leu157 and Tyr158. The Gibb's free energy of hesperidin-HBV Pol interaction was predicted to be À9.3 kcal/mol, corresponding to a binding constant of 6.6 Â 10 6 /mol (Table 2) .
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