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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