Potential of phytochemicals from Silybum marianum against Hemagglutinin from Human Influenza A virus (pdm09 strain): An in-silico drug discovery analysis

Abstract

Influenza viruses contain single-stranded ribonucleic acid, having negative polarity and use RNA polymerase which lacks proofreading. This characteristic has led to severe influenza pandemics, as antigenic shifts allow them to resist currently available vaccines. H1N1 is one of the influenza viruses that has come forward as a severe warning to human lives. Phytochemicals have been used to cure several diseases as they have high potentials to eliminate various diseases and infections in human beings. Herein, the potential of phytochemicals from a plant named Silybum marianum was analyzed against the hemagglutinin protein of Human Influenza A virus (pdm09 strain) opting computer-aided drug discovery protocols. Based upon the analysed properties including pharmacological properties, pharmacokinetics, binding affinities, stability in binding, and reactivity of compounds against receptor, 4 phytochemicals were identified and virtually screened out of 79 docked compounds, as those compounds showed efficient and exceptional results against targeted receptor. The results indicate that these compounds can be considered potential inhibitory candidates for hemagglutinin protein of Human Influenza A virus (pdm09 strain), after in vitro and in vivo validations.