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Table 3 Docking scores of first three best docked posses

From: Synthesis, characterization, anti-ulcer action and molecular docking evaluation of novel benzimidazole-pyrazole hybrids

Ligand

Binding affinity (kcal/mol)

Mode

rmsd/ub

rmsd/lb

5a

−9.5

0

0

0

5a

−9.5

1

7.294

2.981

5a

−9.4

2

8.366

3.478

5b

−9.4

0

0

0

5b

−9.4

1

8.305

3.3

5b

−9.4

2

7.025

3.268

5c

−9.2

0

0

0

5c

−9

1

6.477

3.593

5c

−9

2

8.947

4.176

5d

−9.8

0

0

0

5d

−9.5

1

8.682

2.897

5d

−9.5

2

6.742

3.731

5e

−9.4

0

0

0

5e

−9.4

1

8.741

4.258

5e

−9.3

2

7.866

4.377

5f

−9.2

0

0

0

5f

−8.9

1

8.67

4.143

5f

−8.8

2

6.344

3.617

SCH28080

−7.7

0

0

0

SCH28080

−7.7

1

1.855

1.386

SCH28080

−7.6

2

2.239

1.821

Omeprazole

−7.7

0

0

0

Omeprazole

−7.7

1

7.939

2.578

Omeprazole

−7.6

2

2.229

1.456

SA

−7.8

0

0

0

SA

−7.2

1

3.942

2.388

SA

−7

2

10.687

8.036

SC

−7.7

0

0

0

SC

−7.4

1

7.333

2.091

SC

−7.3

2

11.516

9.22