Abstract:

The recent outbreak of corona virus disease 2019 has become a global challenge for scientific community globally and there is a need of prevention and treating disease. Viral entry is accommodated by the fusion of glycoprotein with ACE2 human receptor. Therefore, spike glycoprotein of SARS Cov-2 is considered to be the potential target for the diagnosis, vaccine development, and antibodies. In present study we retraived sequences of 216 antiviral peptides from DRAMP in that only 49 peptides and bacteriocin peptides are modeled using Swiss modeling and pep-FOLD 3.5 and docked against spike protein by using peptide protein docking software. It was discovered that some peptides have exhibited affinity towards protein spike. In that only 10 peptides have been selected, these are selected on the basis of lowest binding energy and lowest Z-score. DRAMP02563-2.7, DRAMP02546-1398.4 is the peptides have more binding affinity with lowest z-score and binding energy. These best complex models are again docked with ACE2 (protein-protein binding). Interestingly it was noticed that the ACE2 complex binds to the B-chain of spike protein instead of A chain .Where peptide is bind to the spike A chain. This interaction suggests that the peptides may be employed in inhibiting the viral entry into human ACE2 cells to stop the spread of covid19 pandemic or it may be used in vaccine preparation.

Description:

Bacterial defensins, spike protein, sars cov-2, ACE 2, Peptides, molecular docking