Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2015 Vol: 7 Issue: 3

In silico screening of phytoactive components against Junin, Hanta, Dengue, Marburg and Ebola Viruses


Viruses are the most infectious agents which are found virtually in all life forms, like all other organisms, human race is also vulnerable to get infected by viruses. Viruses are potential in spreading catastrophic epidemics through their pathogenicity to the entire human race. Researchers nowadays are afraid of a major outbreak of baneful and indocile viral diseases which can spread through different modes. In this article, we had selected five such dreadful viruses; Junin, Hanta, Dengue, Marburg and Ebola along with 50 known bioactive components under our study. This study is an effort in discovering effective bioactive components from the list of selected bioactive components to inhibit the activity against these viruses by means of in silico analysis. Molecular docking studies were performed using iGEMDOCK module software. All the selected components from the list were docked with the specific protein binding sites of the viruses. According to the iGEMDOCK software palmatine (-103.076 kcal/mol), delphinidin chloride (-109.187 kcal/mol), squalene (-109.975 kcal/mol) and marmin (-91.84 kcal/mol, 98.74 kcal/mol) shows highest binding energy, whereas d-limonene and allicin shows minimum binding energy against binding sites. Further in vitro and in vivo analysis of these compounds against these protein viruses will lead a new pathway to drug discovery.

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