USE OF MOLECULAR DOCKING TO VALIDATE EFFICACY OF BEE POLLEN PHYTOCHEMICALS ON SARS-COV-2 AND PREDICTION OF ADMET/TOXICITY PROPERTIES Authors: Paul D And Dsouza MR*
ABSTRACT
SARS-CoV-2 the virus that rooted the outbreak in Wuhan, China continues to spread
rapidly across the globe. It belongs to the family Coronaviridae, the same family that caused
the SARS pandemic. Such viral outbreaks hindered our societal structure as currently, we do
not possess appropriate therapeutic advancements against viral infections. Henceforth, it is
necessary to look for and develop plausible therapeutic options that are viable during such viral
outbreaks. Bee pollen is one such object of curiosity that has not been well established as
therapeutics but shows enormous potential. In this study, we aim to investigate bee pollen
phytochemicals specific to the specie Apis dorsata against the S-protein of the SARS-CoV-2
as well as the ACE2 receptor complex. A link between these phytochemicals as an inhibitor
for the entry of the virus inside the cell will also be established. In order to increase our horizon
of study we have performed in silico analysis on two sets of protein structures and compared
the obtained outcomes.
Keywords: Molecular docking, Apis dorsata, bee pollen, SARS-CoV-2, ACE2, ADMET. Publication date: 01/12/2023 https://ijbpas.com/pdf/2023/December/MS_IJBPAS_2023_7634.pdfDownload PDFhttps://doi.org/10.31032/IJBPAS/2023/12.12.7634