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bioRxiv · 10.1101/060798

Virtual screening of inhibitors for the Zika virus proteins

Sergey Feranchuk·Uliana Potapova·Sergei Belikov
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Abstract

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.

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Sergey Feranchuk, Uliana Potapova, Sergei Belikov. 2016-06-28. Virtual screening of inhibitors for the Zika virus proteins. https://doi.org/10.1101/060798

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