Molecular dynamics analysis of N-acetyl-D-glucosamine against specific SARS-CoV-2’s pathogenicity factors

The causative agent of the pandemic identified as SARS-CoV-2 leads to a severe respiratory illness similar SARS and MERS with fever, cough, shortness breath symptoms cases that can often be fatal. In our study, we report findings based on molecular docking analysis which could new effective way for controlling virus additionally, another manipulative possibilities involving mimicking immune system occurred during bacterial cell recognition system. For this purpose, performed using computational biology techniques several proteins are responsible its pathogenicity against N-acetyl-D-glucosamine. A dynamics has been carried out both anti- Staphylococcus aureus neutralizing antibodies establish potential N-acetyl-D-glucosamine likely induces response virus. results dynamic have confirmed spike receptor-binding domain (PDB: 6M0J), RNA-binding nucleocapsid phosphoprotein 6WKP), refusion S ectodomain trimer 6X79), main protease 3clpro at room temperature 7JVZ) bind these play an important role in SARS-CoV-2’s infection evade Moreover, supported strong protein-ligand interaction selected proteins. Furthermore, D614G mutant shown affinity binding were not affected by mutations occurring virus’ receptor domain. towards human it potentially predictive modelling work. Our holds inhibit well induce host.