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_61
Snippet: Baccatin III (Fig. 1K ) interacted with HBV Pol by forming three hydrogen bonds with Asn33, Asn36 and Asn248. It also formed two carbon hydrogen bonds with Asp83 and Lys241 in addition to one alkyl hydrophobic interaction with Met250 (Fig. 7K ). Other residues that surrounded baccatin III were Val84, Phe249, Gly254, Gln267 and Ile269. Interestingly, Baccatin III also interacted with Asp205 and Asp206 of YMDD motif of HBV Pol. The Gibb's free ener.....
Document: Baccatin III (Fig. 1K ) interacted with HBV Pol by forming three hydrogen bonds with Asn33, Asn36 and Asn248. It also formed two carbon hydrogen bonds with Asp83 and Lys241 in addition to one alkyl hydrophobic interaction with Met250 (Fig. 7K ). Other residues that surrounded baccatin III were Val84, Phe249, Gly254, Gln267 and Ile269. Interestingly, Baccatin III also interacted with Asp205 and Asp206 of YMDD motif of HBV Pol. The Gibb's free energy of baccatin III-Pol interaction was predicted to be À7.0 kcal/mol which corresponded to a binding constant of 1.4 Â 10 5 /mol (Table 2) .
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