Table 5.
Binding energy of the active ingredients in MPTA to the core targets.
Compounds | Affinity | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
MAPK3 | SRC | MTOR | PIK3CA | PTGS2 | ||||||
Combination of energy (kcal/mol) | Number of hydrogen bonds | Combination of energy (kcal/mol) | Number of hydrogen bonds | Combination of energy (kcal/mol) | Number of hydrogen bonds | Combination of energy (kcal/mol) | Number of hydrogen bonds | Combination of energy (kcal/mol) | Number of hydrogen bonds | |
ALL | −6.34 | 1 | −6.87 | 1 | −7.46 | 2 | −7.42 | 2 | −7.24 | 1 |
PRO | −7.25 | 1 | −7.31 | 1 | −7.66 | 2 | −7.86 | 2 | −7.43 | 1 |