Abstract
AbstractDengue is one of the deadliest mosquito‐borne viral diseases. Since its inception, a lot of research has happened in various directions, still no effective antiviral drug is available to combat its serious consequences. Though symptomatic medicines are available, they have not been proven scientifically and hence, there is an urge to adopt new strategies in the development of effective drugs against dengue. In the present study, we computationally screened the phytoconstituents from Carica papaya, Andrographis paniculata and Azadirachta indica against dengue virus multi‐targets, viz. dengue viral proteases, dengue viral envelope proteins, and dengue viral RNA dependent RNA polymerase via in silico docking study followed by Molecular Mechanics‐Generalized Born and Surface Area using Schrödinger‐Maestro version 12.0.012 to estimate the protein‐ligand binding affinities. The phytoconstituents showing significant docking score, binding interaction, and binding affinity compared to reported anti‐virals were finalized. This study can serve as a lead for the treatment of dengue infection by identifying the potential candidate(s).
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