Table 1 Binding energies of the nine most favorable conformations of SDG towards PI3Kγ and Akt1.

From: Network pharmacology uncovers that secoisolariciresinol diglucoside ameliorate premature ovarian insufficiency via PI3K/Akt pathway

Mode number

PI3Kγ

Akt1

Affinity

Dist from best mode

Affinity

Dist from best mode

(kcal/mol)

Rmsd l.b.

Rmsd u.b.

(kcal/mol)

Rmsd l.b.

Rmsd u.b.

1

-9.413

0

0

-8.787

0

0

2

-9.243

1.654

2.417

-8.776

1.901

5.954

3

-9.224

2.39

6.519

-8.774

2.155

8.011

4

-9.209

1.486

3.231

-8.68

2.161

8.4

5

-9.205

1.482

5.104

-8.534

2.209

4.227

6

-9.179

2.172

5.821

-8.509

0.989

9.652

7

-9.163

1.595

5.528

-8.414

1.694

2.803

8

-9.046

1.551

2.965

-8.375

2.016

5.869

9

-9.02

1.903

5.162

-8.368

2.172

4.465

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