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Table 1 The structures, experimental pIC50, predicted pIC50, and the residual values of salicylic acid derivatives against α-glucosidase

From: Salicylic acid derivatives as potential α-glucosidase inhibitors: drug design, molecular docking and pharmacokinetic studies

Compounds

Structures

Experimental pIC50

Predicted pIC50

Residuals

1X

2.76

2.53

0.23

2Y

3.00

3.01

 − 0.01

3Y

3.29

3.25

0.04

4Y

3.05

3.21

 − 0.15

5Y

3.46

3.41

0.05

6Y

3.33

3.32

0.01

7Y

3.36

3.54

 − 0.19

8X

3.70

3.67

0.03

9Y

3.82

3.87

 − 0.04

10Y

4.07

4.02

0.05

11Y

3.02

3.06

 − 0.04

12X

2.40

2.34

0.05

13X

2.52

2.56

 − 0.04

14X

2.78

2.68

0.10

15Y

1.72

1.99

 − 0.27

16Y

3.10

3.00

0.10

17Y

3.72

3.63

0.10

18Y

2.24

2.12

0.12

19Y

2.60

2.62

 − 0.02

20X

2.65

2.30

0.35

21X

2.22

1.94

0.28

22Y

2.76

2.60

0.15

23X

2.45

2.48

 − 0.03

24X

2.62

2.71

 − 0.09

25Y

2.63

2.70

 − 0.07

26Y

3.22

3.20

0.01

27X

2.92

3.09

 − 0.18

28Y

2.12

2.04

0.08

29Y

1.72

1.66

0.06

30Y

2.90

3.05

-0.15

31Y

3.50

3.32

0.17

Reference drug (Acarbose)

6.35

 
  1. YTraining set
  2. XTest set