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_55
Snippet: 3.7.8. b-Sitosterol-Pol interaction b-Sitosterol (Fig. 1H ) interacted with HBV Pol by forming one Pi-sigma hydrophobic interaction with Trp3, five alkyl hydrophobic interactions with Pro4, Arg41, Leu42 and Met171, and ten Pialkyl hydrophobic interactions with Trp3, Phe88, Tyr89 and His160 (Fig. 7H ). Other residues that surrounded b-sitosterol were Thr38, Glu39, Ser40, Ala86 and Ala87. The Gibb's free energy of bsitosterol-Pol interaction was fo.....
Document: 3.7.8. b-Sitosterol-Pol interaction b-Sitosterol (Fig. 1H ) interacted with HBV Pol by forming one Pi-sigma hydrophobic interaction with Trp3, five alkyl hydrophobic interactions with Pro4, Arg41, Leu42 and Met171, and ten Pialkyl hydrophobic interactions with Trp3, Phe88, Tyr89 and His160 (Fig. 7H ). Other residues that surrounded b-sitosterol were Thr38, Glu39, Ser40, Ala86 and Ala87. The Gibb's free energy of bsitosterol-Pol interaction was found to be À8.3 kcal/mol that corresponded to a binding constant of 1.2 Â 10 6 /mol (Table 2) .
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