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Table 1 Glide XP analysis of proanthocyanidin and 5-fluorouracil

From: Antitumor effect of proanthocyanidin induced apoptosis in human colorectal cancer (HT-29) cells and its molecular docking studies

Proteins

XP analysis of docking scores

Proanthocyanidin

5-Fluorouracil

Docking score

Glide E model energy

H-bonds

Interacting residue

Docking score

Glide E model energy

H-bonds

Interacting residue

BCL-2

− 4.51

− 42.19

5

Arg105, Glu95, Asp99

− 3.72

− 23.67

2

Asp99

BCL-XL

− 5.23

− 65.83

2

Asp107, Ala104

− 4.43

− 20.79

2

Trp1337, Gly138

CDK2

− 5.17

− 60.94

3

Asp86, Asn132, Glu8

− 4.47

− 25.05

2

Leu83

CDK4

− 4.23

− 27.17

3

Asp97, Thr177, Lys142

− 4.77

− 33.76

2

Lys142, Tyr117