Plant-derived antiviral drugs as novel hepatitis B virus inhibitors: Cell culture and molecular docking study

Parvez, Mohammad K.; Tabish Rehman, Md.; Alam, Perwez; Al-Dosari, Mohammed S.; Alqasoumi, Saleh I.; Alajmi, Mohammed F.

Menisdaurin, a plant cyanoglycoside has very limited information on its antiviral activities. The two reports on anti-HBV activity of menisdaurin isolated from Saniculiphyllum guangxiense (Geng et al., 2012) and mangrove Bruguiera gymnorrhiza (Yi et al., 2015) are recently published. In line with this, our data endorsed its in vitro anti-HBV potential. Contrarily however, in our study menisdaurin's activity was lesser as compared to its reported higher activity to lamivudine (Yi et al., 2015) . In the docking analysis, menisdaurin-HBV Pol interaction was through Lys241, Asn248, Met250 and Gln267 that predicted the free energy of À6.5 kcal/mol. Notably therein, one of the Pol 'YMDD' residues, Asp206 was among the menisdaurin surrounding amino acids.