Table 8 The molecular interactions with amino acids of the protein.
Complexes | Hydrogen interactions | Hydrophobic interactions | ||
|---|---|---|---|---|
Amino acids | Distance (Å) | Amino acids | Distance (Å) | |
P53|Heptanediamide, N,Nʹ-di-benzoyloxy- | THR68,PRO123,ASN191,TYR196 | 2.95,2.16,2.99,2.19 | LEU63,THR68,ALA94,THR98,PRO123,ASN191,LEU225,TRP262,PHE293 | 3.91,3.63,3.81,3.83,3.74,3.79,3.62,3.95,3.68 |
P53|2-[4-methyl-6-(2,6,6-trimethyl-cyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde | THR98 | 2.15 | LEU63,THR68,THR98,LEU193,ILE195,TRP262,PHE293 | 3.62,3.83,3.87,3.64,3.54,3.65,3.69 |
BCL2|Obtusifoliol | – | – | PHE63,TYR67,ASP70,PHE71,VAL92,LEU96,ALA108 | 3.69,3.92,3.64,3.69,3.94,3.93,3.51 |
BCL2|Cycloartenol | ARG105 | 2.41 | ASP62,PHE63,ARG66,ARG105,TYR161,PRO163 | 3.44,3.84,3.50,3.82,3.80,4.00 |
EGFR|Clionasterol | – | – | LEU718,ALA743,LYS745,LEU777,LEU788,THR790,LEU844,THR854,PHE997 | 3.45,3.87,3.36,3.89,3.41,3.59,3.80,3.33,3.61 |
EGFR|Cycloeucalenol | LYS745 | 2.84 | LEU718,VAL726,THR790,PHE997 | 3.04,3.72,3.52,3.71 |
HER2|Cycloartenol | THR5,SER441 | 2.86,2.45 | PRO278,TYR279,TYR281 | 3.67,3.89,3.74 |
HER2|Heptanediamide, N,Nʹ-di-benzoyloxy | THR5,TYR281,LEU414,GLY417,SER441 | 2.20,2.69,2.17,2.61, 2.15 | THR5,LEU27,LEU291,TYR387,ILE413,LEU414,LEU443,HIS468 | 3.48,3.50,3.78,3.83,3.76,3.48,3.80,3.86 |
