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Table 2 Stability assessments concerning hydrophobic interactions

From: Docking and ADMET studies for investigating the anticancer potency of Moscatilin on APC10/DOC1 and PKM2 against five clinical drugs

Ligand

Target protein (PDB ID)

Residue

Amino acid

Distance (Ã…)

Ligand atom

Protein atom

Moscatilin

APC10/DOC1 (IJHJ)

98A

Valine

2.69

1462

764

Resveratrol

108A

Isoleucine

2.90

1458

845

Mitomycin-C

126A

Aspartic acid

3.24

1466

991

Paclitaxel

28A

Glutamine

2.85

1473

196

Colchicine

126A

Aspartic acid

2.73

1460

991

Shikonin

73A

Threonine

3.34

1457

564

Moscatilin

PKM2 (IZJH)

42A

Arginine

3.52

4010

147

Resveratrol

117A

Glutamine

3.63

4007

719

Mitomycin-C

No hydrophobic interactions

Paclitaxel

455A

Asparagine

3.26

4050

3289

Colchicine

501A

Phenylalanine

2.66

4019

3657

Shikonin

41A

Alanine

2.87

4009

142