|
Metformin
|
|---|
|
S. no.
|
Protein name
|
EST. free energy of binding (kcal/mol)
|
EST. inhibition constant, Ki (mM)
|
vdW+ Hbond+ desolv energy (kcal/mol)
|
Electrostatic energy (kcal/mol)
|
Total intermol. energy (kcal/mol)
|
Frequency (%)
|
Interact. surface
|
|---|
|
1.
|
Beta secretase
|
−5.54
|
0.086
|
−2.56
|
−2.98
|
−5.54
|
80
|
346.622
|
|
2.
|
HSP 90
|
−4.09
|
1.01
|
−3.58
|
−0.50
|
−4.09
|
30
|
365.345
|
|
3.
|
Fructose-1,6-bisphosphatase
|
−2.93
|
7.15
|
−1.54
|
−1.39
|
−2.93
|
20
|
219.69
|
|
4.
|
Neuraminidase
|
+0.03
|
–
|
+0.00
|
+0.03
|
+0.03
|
30
|
17,111.543
|
|
5.
|
CDK 2
|
−3.28
|
3.97
|
−1.42
|
−1.86
|
−3.28
|
100
|
269.215
|
|
6.
|
Glutathione S transferase
|
−0.03
|
944.98
|
+0.00
|
−0.03
|
−0.03
|
40
|
10,475.752
|
|
7
|
eNOS
|
−6.8
|
0.01
|
−3.68
|
−3.13
|
−6.82
|
100
|
419.151
|
