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. 2017 Jun 26;5:3. doi: 10.1007/s40203-017-0023-3

Table 2.

Analysis of ligands interaction between active compound of Annona muricata leaves with Foxo1 receptors with in silico method

Ligand ID Interaction
Xylopine Hydrogen bond: Ala159, Tyr196, Ser212
Hydrophobic bond: Asn158, Trp160, Tyr165, Trp209
Anonaine Hydrogen bond: Tyr196, Ser212
Hydrophobic bond: Asn158, Trp160, Tyr165, Gly208, Trp209
Rutin Hydrogen bond: Asn158, Ala159, Tyr165, Tyr196, Ser205
Hydrophobic bond: Phe197, Lys200, Trp209, Gly208, Ser212
Isolaureline Hydrogen bond: Tyr165, Tyr196
Hydrophobic bond: Arg157, Asn158, Ala159, Trp160, Ser212
Kaempferol 3-O-rutinoside Hydrogen bond: Ala159, Tyr196, Ser205, Trp209, Ser212, Asn216
Hydrophobic bond: Asn158, Trp160, Tyr165, Lys200, Gly208, His215.
Muricatocin A Hydrogen bond: Asn158, Asn216,Gly208, Ser212,
Hydrophobic bond: Tyr165, Trp160, Tyr196, Lys200, Trp209, Asn211
Inhibitor reference/AS1842856 Hydrogen bond: Asn158, Tyr165, Ser212
Hydrophobic bond: Ala159, Ser164, Trp160, Tyr196, Phe197, Ser205, Trp209

Bold and underline letter indicate that the complex (FOXO1-ligands) has the same interaction with the FOXO1-inhibitor reference