配体名称

相互作用距离及类型

相互作用能

GLU205

GLU206

TYR662

ARG125

PHE357

TYR547

TYR666

alogliptin

−47.9805

salt bridge 3.39505

2.039

(H-bond)

2.35119

(H-bond)

2.52806

(H-bond)

Pi-stacking 4.51539

linagliptin

−64.5003

2.33181

(H-bond)

salt bridge 2.9098

2.53557

(H-bond)

salt bridge 5.28194

saxagliptin

−67.8099

2.40782

(H-bond)

(side chain)

2.23433

(H-bond)

(backbone)

1.71423

(H-bond)

2.5392

(H-bond)

2.22074

(H-bond)

sitagliptin

−79.1987

1.89363

(H-bond)

salt bridge 2.77566

1.77592

(H-bond)

Pi-stacking 4.65316

vildagliptin

−46.9239

1.73979

(H-bond)

salt bridge 4.87331