An In-Silico Investigation of Phytochemicals as Antiviral Agents Against Dengue Fever

Powers, Chelsea N.; Setzer, William N.

A number of flavonoids from Silybum marianum have shown exceptional docking to the hydrophobic pore of DENV Ep (2,3-dehydroxilybin, cisilandrin, isosilybins A-D, silandrins A-B, and silybin ( Table 5) . Silybin (silibinin, silymarin) has shown antiviral activity against hepatitis C virus [63] and chikungunya virus [64] . C-geranylated flavanones from Paulownia tomentosa fruits have shown antibacterial [65, 66] , cytotoxic [67] , and anti-inflammatory [68] activities as well as SARS-CoV protease inhibitory activity [69] . Diplacone showed excellent docking properties with DENV MTase ( Table 3) and both 3 -O-methyldiplacone and 3 -O-methyldiplacol docked well with the ATP site of DENV helicase ( Table 2) . Diplacone, bonannione A, 3 -Omethyldiplacone and 4 -O-methyldiplacone docked well with the hydrophobic channel of DENV Ep (Table 5) . Likewise, the C-geranylated flavone cannflavin A, from Cannabis sativa [70] , also docked well with DENV Ep ( Table 5) .