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_64
Snippet: Quercetin, a widely distributed plant flavonol is reported to have in vitro antiviral activities against meningovirus, HSV, HIV, parainfluenza type 3, pseudorabies virus, respiratory syncytial virus (RSV) and Sindbis virus (Kaul et al., 1985; Mucsi, 1984; Vrijsen et al., 1998; Choi et al., 2009; Kelly, 2011; Chiow et al., 2016) . Though a single study has shown its anti-HBV potential in vitro (Cheng et al., 2015) , the mechanism of action is not .....
Document: Quercetin, a widely distributed plant flavonol is reported to have in vitro antiviral activities against meningovirus, HSV, HIV, parainfluenza type 3, pseudorabies virus, respiratory syncytial virus (RSV) and Sindbis virus (Kaul et al., 1985; Mucsi, 1984; Vrijsen et al., 1998; Choi et al., 2009; Kelly, 2011; Chiow et al., 2016) . Though a single study has shown its anti-HBV potential in vitro (Cheng et al., 2015) , the mechanism of action is not reported. In line with this, our in vitro data confirmed the high anti-HBV potential of quercetin. The docking of quercetin with HBV Pol revealed formation of bonds with Lys32, Asn36, Arg41, Ala86, Ala87, Phe88, Asp83 and Val84 that stabilized the quercetin-pol complex with an estimated free energy of À7.4 kcal/mol. Notably therein, Asp205 belonging to the Pol 'YMDD' motif was among the quercetin surrounding residues.
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