Table 2 Hydrogen bond parameters derived from molecular docking of CDK-2 protein with compounds

Reference

Dinaciclib

Gln131:H—Lig: N

2.5

Lys9:H—Lig: O

2.0

1

Chlorogenic acid

Asp145:O—Lig: H

2.1

His84:O—Lig: H

1.7

Lys89:H—Lig: O

2.4

Lys89:H—Lig: O

2.1

Ile10:O—Lig: H

2.1

Phe82:C—Lig: O

Aromatic

2

Quercetin

Asp145:O—Lig: H

1.9

His84:O—Lig: H

1.8

Asp86:O—Lig: H

Aromatic

3

Ellagic acid

Asp145:O—Lig: H

1.9

Asp145:O—Lig: H

1.9

Asp86:O—Lig: H

2.6

Leu83:O—Lig: H

1.9

Leu83:O—Lig: H

Aromatic

4

Niazirin

Asp145:O—Lig: H

1.9

Asn132:O—Lig: H

1.8

Gln131:O—Lig: H

2.1

Lys89:H—Lig: O

2.4

5

Kaempferol

Asp145:O—Lig: H

1.9

His84:O—Lig: H

1.7

Asp145:O—Lig: H

Aromatic

Ile10:O—Lig: H

Aromatic

Leu83:O—Lig: H

Aromatic