Table 2.
Binding acid amine, as well as the binding energy of Sch A, B, and C, was evaluated through autodock calculations.
| Protein | Schisandrin | ||
|---|---|---|---|
| A | B | C | |
| Bax | GLN52, LYS57, SER60 (-0.83) | GLN32, MET38, GLY40, ALA42, LEU45, ASP48, VAL50 (-7.0) | GLN28, GLN32, MET38, ALA42, LEU45, ASP48, VAL50, PRO51 (-7.43) |
| Bcl-2 | PHE135, ARG136, TYR177, HIS181, LEU182 (-2.02) | ARG106, ALA108, SER110, ASP111, LEU112, GLN115, TYR 308, GLU311 (-8.1) | LEU112, LEU116, ILE118, ALA123, PHE127, PHE150, GLY151, LEU154, ILE170, TYR308 (-7.92) |
| P53 | PHE38, ARG42, GLU39 (-0.66) | ARG42, ASN45, GLU46, GLU49 (-6.43) | GLU46, ALA47, GLU49, LEU50, LYS51, ALA53, GLN54 (-5.16) |
| Akt | ARG69, PRO70, ASN71, HIS89 GLU91, THR92 (-1.38) | TYR38, LYS39, GLN47, PRO42, LEU52 (-7.69) | TYR38, LYS39, LEU40, PRO42, GLN47, ALA50 LEU52 (-6.6) |
| Caspase-3 | MET233, SER267, LEU269 (-1.01) | SER104, LYS105, PHE142, ARG147 (-6.42) | SER36, TYR37, MET39, ASP40, TYR274, TYR276, HIS277 (-4.6) |
| Cdk2 | PRO253, PRO254 (-0.29) | GLY220, THR221, LEU219, VAL225, VAL226, TRP243 (-7.16) | ASN59, HIS60, ILE63, LYS65, GLU81, LYS142 (-6.58) |
| Cdk4 | ASP237, GLU274, THR277, LYS282 (-0.59) | ILE230, LEU273, THR277, ASN279, PHE278 (-8.13) | LEU60, LEU63, VAL71, VAL72, PHE93, ALA157, ASP158 (-5.93) |
| Cyclin D | SER64, ARG65, THR68, TRP156, GLN160 (0.4) | ALA194, GLU197, SER198, ASP199, TYR232, TRP233 (-7.42) | LEU14, HIS23, GLN20, GLN86, CYS89 (-6.65) |
| Cylin E | LEU25, THR26, GLY27 (-0.25) | GLU57, ASN59, LYS103, ILE104, HIS121 (-7.24) | LEU37, ASP38, GLY43, HIS71, ASN74, LEU212, LEU216 (-5.7) |
| Cyclin A | PHE109, GLN113, LYS278, LEU281 (-0.06) | PHE242, MET246, SER247, VAL248, LEU249, LYS252, VAL256, MET294 (-6.86) | PHE109, LEU281, ALA282, PHE286, GLN287 (-6.49) |
| MMP-2 | ARG495, PHE512, TRP513, ALA545, SER546 (-0.2) | TRP574, ASN577, TYR581, ALA609, TRP610, SER644, LEU645, GLN643 (-6.67) | HIS403, PRO417, ALA419, LEU420, ALA422, ILE424, THR428, LEU431, LEU508 (-7.03) |
| MMP-9 | PRO290, LYS292, THR319, THR320 (0.01) | GLU243, ASN245, SER246, CYS349, CYS390, PRO391 (-7.43) | GLY218, GLN219, PHE235, ASN245, PRO391, GLN393 (-6.64) |
| STAT3 | TYR104, TRP183, ASN214, PRO216 (-0.84) | LEU66, PHE69, HIS71, ILE74, GLY76, ILE77, ASN78, LYS155 (-6.72) | TYR27, MET29, LYS46, ILE47, SER48, TYR55 (-6.72) |
| TGF-β | VAL68, VAL69, LEU104, LEU105 (-0.14) | LEU431, PRO433, LYS443, GLN448 (-6.39) | ILE211, ALA230, TYR232, HIS283, GLU284, GLY286, SER287, LEU340 (-6.97) |
| VEGF | TPR50, TYR99, TRP108 (-0.69) | LEU45, TYR95, TRP113, GLY114 (-6.24) | PRO41, LEU118, THR120, PRO157, PHE156, GLU158, TYR186 (-5.52) |