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Table 3 Stability assessments with respect to hydrogen bonds.

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 H-A

Distance D-A

Protein donor

Side chain

Moscatilin

APC10/DOC1 (IJHJ)

127A

Asparagine

1.45

2.43

√

×

Resveratrol

125A

Threonine

3.05

4.01

√

√

Mitomycin-C

126A

Aspartic acid

3.22

4.00

√

√

Paclitaxel

28A

Glutamine

2.81

3.75

√

√

Colchicine

133A

Arginine

3.19

3.95

√

×

Shikonin

161A

Proline

1.66

2.29

×

×

Moscatilin

PKM2 (IZJH)

499A

Arginine

1.27

2.12

√

√

Resveratrol

269A

Lysine

1.15

2.14

√

√

Mitomycin-C

209A

Asparagine

2.10

3.08

√

√

Paclitaxel

260A

Lysine

2.89

3.26

√

√

Colchicine

105A

Arginine

3.10

4.00

√

√

Shikonin

499A

Arginine

2.07

2.70

√

√