Basic Study
Copyright ©The Author(s) 2024.
World J Diabetes. Nov 15, 2024; 15(11): 2220-2236
Published online Nov 15, 2024. doi: 10.4239/wjd.v15.i11.2220
Table 2 List of targets
Target nameTarget PDB/UniProt IDBinding affinity (kcal/mol)RMSD (Å)Type of interacted bonds
Hydrogen bond
Hydrophobic residues
Other bonds
Fibronectin1MFN-7.62.583 ARG44, ASN61HIS37, HIS40, SER41, GLY43, PRO45, LEU62, ASN63, THR66, TYR68, ALA38pa, ARG46
IL-6 2 L3Y-8.42.652ILE92, SER93(2)LYS91, LEU89, ILE142, LEU90, ASN133, PHE132, LEU139, ILE87, GLU86, GLN85, TYR83, ASN84VAL136psa, CYC78ps, CYC88 Lps
TNF-α2TNF-5.41.816SER99, TYR115, LYS112GLY68, VAL97, PRO102, LYS103, PRO105, PRO106, TRP114, PRO113, GLU116,LYS98pc, ch, CYS69pa
IL-1β 4G6M-7.52.062TYR24, LYS77(2), LEU82(2)GLU25, THR79, SER125, MET130, VAL132LYS74pc, PRO131pa, PHE133pps (2)
TGF-β1 Q3UNK5-9.12.125GLU96, GLU100, ARG277, LEU280, THR282, ASN283, CYS293, GLN359PRO95, PRO99, SER274, ARG275, ARG278, ALA279, ASN292, CYS326, TRP330, SER386, CYS389,GLU98pc, GLU100pc, ARG277ps, pa, ASN283ch, HIS276ch, ASP333ch