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Table 6 Inhibition constant result of standard ligand docking simulation and modification towards HDAC Class II.

From: In silico modification of suberoylanilide hydroxamic acid (SAHA) as potential inhibitor for class II histone deacetylase (HDAC)

Ligand

Inhibition constant, Ki (nM)

 

HDAC 4

HDAC 5

HDAC 6

HDAC 7

HDAC 9

HDAC 10

SAHA

5160

7940

5350

6400

17600

8100

1a

500

1620

2430

1880

1800

210

1b

1200

5350

7310

1690

4560

1260

1c

1900

2360

7540

610

920

120

1d

1660

2920

63110

1930

3140

590

1e

3360

3150

2820

2560

1740

890

1f

230

290

1150

200

3390

660

2a

360

90

710

220

1250

810

2b

130

80

2760

390

5300

1270

2c

120

310

70

170

940

1500

2d

400

180

940

160

1680

670

2e

430

630

1030

440

22380

1100

2f

240

50

590

160

1730

970

  1. * Numbers in bold are the lowest amount of inhibition constant value.
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BMC Bioinformatics

ISSN: 1471-2105

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