In silico prediction of the animal susceptibility and virtual screening of natural compounds against sars-cov-2: molecular dynamics simulation based analysis

HIGHLIGHTS

SUMMARY

There are several in silico studies which propose potential inhibitors from diverse sources against distinct proteins of SARS-CoV-2 by using docking and simulations (Bhardwaj et_al, 2021; Sharma et_al, 2021; Singh et_al, 2022). All CoVs encode a surface glycoprotein called Spike protein, which binds to the host-cell receptor and mediates viral entry (Li, 2016; Letko et_al, 2020). The top 10 NCs were selected based on the binding_energy of the complex and were further studied. Since the outbreak of COVID-19, orf1ab and spike_protein were the widely studied proteins of SARS-CoV-2 . . .

 



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