Table 3 Docking results of OA with core target molecules

PPARG

− 24.85

ARG 262, ALA 263, THR 266

–

LYS 185, ARG 262

PPARA

− 26.15

LYS 116, LYS 116

− CYS 128

–

MAPK3

− 24.18

VAL 63, ARG 64, ARG 64, LYS 65, PRO 193

ASN 161, PHE 346, THR 347

–

NR3C1

− 24.64

GLU 540, GLU 540, ARG 611, TYR 660

TRP 610, TYR 660

–

PTGS2

− 26.15

PHE 205, VAL 344, TYR 348

TYR 385, GLY 526, GLY 533, LEU 534

–

CYP19A1

− 29.20

GLN 225, LYS 243, TYR 244, TYR 244, ASP 476

TYR 244, ASP 476

LYS 243

CNR1

− 22.55

PHE 208, LEU 209, ILE 212, ALA 236, MET 240, LEU 286

–

–

HSD11B1

− 34.14

ILE 121, LEU 126, TYR 177, VAL 180, LEU 217, THR 222, ALA 223, ALA 226, ILE 230

–

–

AGTR1

− 31.59

TRP 84, PHE 182, LEU 195, LEU 195, LYS 199, THR 260

THR 260

LYS 199, HIS 256