Table 6.

Molecular dynamic simulation result of selected hits (selexipag and pralatrexate) and linoleic acid with double mutant form (double mutant E484Q and L452R)

Drug name	RMSD	RMSF	Interactions
LA	3.19±0.52	1.44±1.01	A: GLN409, ARG408, LYS417, THR415 B:
Selexipag (DB011362)	4.16±0.97Å	1.53±2.04Å	A: GLN409, ARG408, LYS417, THR415, ASP405 B: PHE374, TYR365
Pralatrexate (db006813)	3.08±0.39	1.33±0.93	A: GLN409, ARG408, LYS417, ARG403, THR415, GLU406 B: PHE374, SER371, LEU368, ALA372, ala363

LA=Linoleic acid, RMSD=Root-mean-square deviation, RMSF=Root mean square fluctuation