RT Journal Article
SR Electronic
T1 Virtual screening of inhibitors for the Zika virus proteins
JF bioRxiv
FD Cold Spring Harbor Laboratory
SP 060798
DO 10.1101/060798
A1 S. Feranchuk
A1 U. Potapova
A1 S. Belikov
YR 2016
UL http://biorxiv.org/content/early/2016/06/27/060798.abstract
AB The NS3 protease and NS5 polymerase structures of the Zika virus were constructed and processed using a virtual screening pipeline. MM-PBSA calculations show that some of the ligands found by the pipeline demonstrate a good affinity to vulnerable sites in both proteins. The anti-hypertension drug eprosartan is among the selected ligands; and inhibition of the tick-borne encephalitis virus has already been confirmed in vivo by a previous study. In the present study phytochemicals bisabolol and andrographolide are suggested as the candidates for antiviral therapy.