Molecular docking and antiviral activities of plant derived compounds against zika virus.

Clicks: 335
ID: 171866
2020
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Abstract
Zika virus (ZIKV), a recently emerged pathogen of the genus flavivirus causes Guillain-Barré syndrome and microcephaly in fetus and newborns from infected mothers. Until date, there are no licensed vaccine or approved drug to treat ZIKV infection. Thus, in this study, 5550 phytochemicals retrieved from various databases were subjected for molecular docking in Discovery studio V.4.0 against the ZIKV helicase protein and envelope protein domain III. In addition, in silico ADMET and Density function theory studies were performed to retain the final hit compounds. Further, four of the identified compounds (eleutheroside B, neoandrographolide, apigenin, and madecassic acid) were tested for in vitro cytotoxicity and antiviral activities against ZIKV. Except madecassic acid, the other three compounds reduced ZIKV infection at non-cytotoxic concentrations. Hence, this study encourages the screening of more phytochemicals against druggable targets of ZIKV to identify new promising drug candidates.
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sangeetha2020molecularmicrobial Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Sangeetha, K;Martín-Acebes, Miguel A;Saiz, Juan-Carlos;Meena, K S;
Journal Microbial pathogenesis
Year 2020
DOI
S0882-4010(20)30906-2
URL
Keywords
Phytochemicals zika virus antiviral activity

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