Abstract
Coronaviruses (CoV) were reported from Wuhan, China that also
transferred from animals to humans. The SARS-CoV-2 spike protein
directly binds to the host cell surface ACE2 receptor helping virus
entry and replication. The amino acid positions introduced in 2019-nCoV
were the corresponding residues in HIV-1 gp120 and HIV-1 Gag. No
SARS‐CoV‐2 therapeutics were available, even if some treatment options
have been published which await acceptance. The Autodock software
version 1.5.6 and viva were used for the molecular docking process.
LIGPLOT software was used for the molecular docking courses. This
program automatically generates schematic diagrams of protein-ligand
interactions for a given protein in a PDB file (Figure 2). Residues are
identical in all seven drugs. The interactions complex between
SARS-CoV-2 spike protein complex and seven suggestion drug was done.
Binding energies on kcal/mol, hydrogen bonds, and hydrophobic
interactions were calculated. Anakinra is proposed because the only
structure that interacts with SARS-CoV-2 spike protein by simulation via
software.