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Volume 8 Journal of Gastrointestinal & Digestive System
ISSN: 2161-069X Gastro Congress 2018
August 20-21, 2018
August 20-21, 2018 | Rome, Italy
13th Euro-Global
Gastroenterology Conference
Natural antiviral drugs as novel hepatitis b virus polymerase-inhibitors: Cell culture and molecular
docking study
Mohammad K Parvez, Md. Tabish Rehman and Mohammed S Al Dosari
King Saud University, KSA
Hepatitis B virus (HBV) causes chronic liver diseases, including fulminant liver failure, cirrhosis and hepatocellular
carcinoma, affecting about two billion of world population. Despite high anti-HBV efficacies, the nucleoside analogs
(e.g., lamivudine) lead to the emergence of drug-resistance, interferons (e.g., IFN-α causes adverse side-effects. Comparatively,
various natural or plant products have shown similar or even better efficacy. Hence, new antiviral strategies must focus not
only on synthetic molecules but also on potential natural compounds. In this report, we have combined the in vitro cell culture
and in silico molecular docking methods to assess the novel anti-HBV activity and delineate the inhibitory mechanism of
selected plant-derived pure compounds of different classes. Of the tested (2.5-50 µg/ml) twelve non-cytotoxic compounds, ten
(10 µg/ml) were found to maximally inhibit HBsAg production at day 5. Compared to quercetin (73%), baccatin III (71%),
psoralen (67%), embelin (65%), menisdaurin (64%) and azadirachtin (62%) that showed high inhibition of HBeAg synthesis,
lupeol (52%), rutin (47%), β -sitosterol (43%) and hesperidin (41%) had moderate efficacies against HBV replication. Further
assessment of quercetin in combination with the highly active compounds, enhanced its anti-HBV activity up to 10%. Being
the most important drug target, a 3D structure of HBV polymerase (Pol) was modeled and docked with the active compounds,
including lamivudine as standard. Docking of lamivudine indicated strong interaction with the modeled HBV Pol active-site
residues that formed stable complex (∆G=-5.2 kcal/mol). Similarly, all the docked antiviral compounds formed very stable
complexes with HBV Pol (∆G=-6.1 to -9.3 kcal/mol). Taken together, our data suggest the anti-HBV potential of the tested
natural compounds as novel viral Pol-inhibitors.
J Gastrointest Dig Syst 2018, Volume 8
DOI: 10.4172/2161-069X-C5-077