Table 1. In silico blind molecular docking of promethazine and hydroxyzine and their related substances to human TCTP. Dockings were performed with 100 runs for each compound.

Compounds	Lowest energy of docking (kcal/mol)	Mean binding energy(kcal/mol)	Residues involved hydrogen bond interaction with the ligand	Residues involved in hydrophobic interaction with ligand	pKi (μM)
Promethazine (control drug)	−6.39	−5.99	Asp 44, Thr 65	Thr 39, Gly 41, Ile 43, Asp 44, Glu 63, Ser 64, Thr 65	20.73
Levomepromazine	−7.10	−6.35	Ser 64	Thr 39, Gly 41, Ile 43, Asp 44, Ile 48, Glu 63, Ser 64, Thr 65	6.26
Acepromazine	−6.88	−6.39	Ser 64	Thr 39, Ile 43, Asp 44, Ile 48, Thr 62, Glu 63, Ser 64, Thr 65	9.05
Levopromazine	−6.88	−6.19	Ser 64	Thr 39, Asp 44, Ile 48, Glu 63, Ser 64, Thr 65	8.99
Chloropromazine	−6.49	−6.21	-	Thr 39, Glu 40, Ile 43, Asp 44, Glu 63, Ser 64, Thr 65	17.55
Promazine	−6.25	−5.88	-	Thr 39, Glu 40, Asn 42, Asp 44, Ile 48, Glu 63, Thr 65	26.11
Triflupromazine	−5.93	−5.58	Thr 65	Thr 39, Ile 43, Asp 44, Ile 48, Thr 62, Glu 63, Ser 64, Thr 65	45.14
Hydroxyzine (control drug)	−7.87	−6.73	Thr 62, Glu 63	Thr 39, Glu 40, Gly 41, Asn 42, Ile 43, Asp 44, Ile 48, Glu 60, Gly 61, Th62, Glu 63, Thr 65	1.69
Buclizine	−8.35	−7.77	Glu 63	Thr 39, Glu 60, Gly 61, Thr 62, Glu 63, Ser 64, Thr 65, Val 66	0.76
Meclizine	−8.09	−7.53	Glu 63	Glu 40, Asn 42, Ile 43, Asp 44, Glu 60, Gly 61, Glu 63, Thr 65	1.17
Cyclizine	−7.58	−7.32	Glu 63	Thr 39, Glu 40, Asn 42, Ile 43, Asp 44, Ile 48, Glu 63, Thr 65	2.78
Cetrizine	−6.20	−6.20	Lys 171	Met 1, Typ 4, Asp 16, Typ 18, Lys 19, Ile 20, Glu 22, Leu 29, Lys 171	28.33