الملخص الإنجليزي
Abstract:
Natural resources, particularly plants and microbes, are an excellent source of bioactive
molecules. Bromelain, a complex enzyme mixture found in pineapples, has numerous pharmacological
applications. In a search for therapeutic molecules, we conducted an in silico study on natural
phyto-constituent bromelain, targeting pathogenic bacteria and viral proteases. Docking studies
revealed that bromelain strongly bound to food-borne bacterial pathogens and SARS-CoV-2 virus
targets, with a high binding energy of −9.37 kcal/mol. The binding interaction was mediated by
the involvement of hydrogen bonds, and some hydrophobic interactions stabilized the complex
and molecular dynamics. Simulation studies also indicated the stable binding between bromelain
and SARS-CoV-2 protease as well as with bacterial targets which are essential for DNA and protein
synthesis and are required to maintain the integrity of membranous proteins. From this in silico study,
it is also concluded that bromelain could be an effective molecule to control foodborne pathogen
toxicity and COVID-19. So, eating pineapple during an infection could help to interfere with the
pathogen attaching and help prevent the virus from getting into the host cell. Further, research on
the bromelain molecule could be helpful for the management of COVID-19 disease as well as other
bacterial-mediated diseases. Thus, the antibacterial and anti-SARS-CoV-2 virus inhibitory potentials
of bromelain could be helpful in the management of viral infections and subsequent bacterial
infections in COVID-19 patients.
