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_57
Snippet: Quercetin (Fig. 1I ) binds at the active site of HBV Pol by forming nine hydrogen bonds with Lys32, Asn36, Arg41, Ala86, Ala87, Phe88, Asp83 and Val84 (Fig. 7I ). It also forms two Pi-cation (with Lys32 and Arg41) and one Pi-anion electrostatic interactions (with Asp83). Further, it forms two hydrophobic interactions (Pi-alkyl) with Arg41 and Met171. Other residues that surrounded quercetin were Ser40, Leu42, Val84, Ser85, Tyr89, His160 and Asp20.....
Document: Quercetin (Fig. 1I ) binds at the active site of HBV Pol by forming nine hydrogen bonds with Lys32, Asn36, Arg41, Ala86, Ala87, Phe88, Asp83 and Val84 (Fig. 7I ). It also forms two Pi-cation (with Lys32 and Arg41) and one Pi-anion electrostatic interactions (with Asp83). Further, it forms two hydrophobic interactions (Pi-alkyl) with Arg41 and Met171. Other residues that surrounded quercetin were Ser40, Leu42, Val84, Ser85, Tyr89, His160 and Asp205 of YMDD motif. The Gibb's free energy of quercetin-Pol interaction was predicted to be À7.4 kcal/molwhich corresponded to a binding constant of 2.7 Â 10 6 /mol (Table 2) .
Search related documents:
Co phrase search for related documents- active site and free energy: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
- active site and HBV Pol active site: 1, 2, 3, 4, 5, 6
- active site and hydrogen bond: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
- active site and hydrogen bond form: 1
- active site and hydrophobic interaction: 1, 2, 3, 4, 5, 6, 7, 8
- active site and Pi alkyl hydrophobic interaction: 1
- active site and pi anion: 1
- active site and pi anion electrostatic interaction: 1
- active site and pi cation: 1
- electrostatic interaction and free energy: 1, 2, 3, 4, 5, 6, 7
- electrostatic interaction and HBV Pol active site: 1
- electrostatic interaction and hydrogen bond: 1, 2, 3, 4
- electrostatic interaction and hydrophobic interaction: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14
- electrostatic interaction and Pi alkyl hydrophobic interaction: 1
- electrostatic interaction and pi anion: 1
- electrostatic interaction and pi anion electrostatic interaction: 1
- electrostatic interaction and pi cation: 1
- free energy and HBV Pol active site: 1, 2, 3, 4
- free energy and hydrogen bond: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
Co phrase search for related documents, hyperlinks ordered by date