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_48
Snippet: Menisdaurin (Fig. 1D ) interacted with HBV Pol by forming three hydrogen bonds with Asn248, Met250 and Gln267. It also formed one alkyl hydrophobic interaction with Lys241 (Fig. 7D ). Other residues that surrounded menisdaurin were Asn33, Asn36, Ser81, Leu82, Asp83, Asp206 of YMDD motif, Lys239, Lys241, Leu247, Phe249, Trp259, Gly251. The Gibb's free energy of menisdaurin-Pol interaction was predicted to be À6.5 kcal/mol which corresponded to a .....
Document: Menisdaurin (Fig. 1D ) interacted with HBV Pol by forming three hydrogen bonds with Asn248, Met250 and Gln267. It also formed one alkyl hydrophobic interaction with Lys241 (Fig. 7D ). Other residues that surrounded menisdaurin were Asn33, Asn36, Ser81, Leu82, Asp83, Asp206 of YMDD motif, Lys239, Lys241, Leu247, Phe249, Trp259, Gly251. The Gibb's free energy of menisdaurin-Pol interaction was predicted to be À6.5 kcal/mol which corresponded to a binding constant of 8.9 Â 10 4 /mol (Table 2) .
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