Table 1.
Results of molecular docking vina, discovery studio 2019.
Receptor | Ligand | ZDOCK score | Hydrogen bond interaction | Electrostatic interaction |
---|---|---|---|---|
PROK2 (1IMT) | CSF3 (2D9Q) | −85.085 | B:ARG167:NH1—A:ASP109:OD1, B:ARG167:NH2—A:ASP112:OD1, B:ARG288:NH2—A:GLU19:OE1, A:HOH177:O—A:PRO65:O… |
A:LYS16:NZ—B:ASP197:OD1, A:LYS16:NZ—B:ASP200:OD1, B:ARG167:NH1—A:ASP112:OD2, B:ARG288:NH1—A:GLU19:OE2, A:LEU15—B:LEU291 |