Table 1.
Description on the interactions between the main residues of BCL-2 and phenothiazines.
| AutoDock Vina 1.5.7 | Achilles blind docking server | ||
|---|---|---|---|
| Residue | Interaction | Residue | Interaction |
| Chlorpromazine | |||
| Ala97 | Hydrogen Bond | Ala97 | Hydrophobic contact |
| Asp100 | Salt Bridge | Asp100 | Salt bridge |
| Phe101 | Hydrophobic contact | Phe101 | Hydrophobic contact |
| Arg104 | Hydrophobic contact | Arg104 | Hydrophobic contact |
| Trp141 | Hydrophobic contact | Trp141 | Hydrophobic contact |
| Val145 | Hydrophobic contact | Val145 | Hydrophobic contact |
| Phe195 | π-stacking | Phe195 | Hydrophobic contact |
| Tyr199 | Hydrophobic contact | ||
| Triflupromazine | |||
| Gln96 | Hydrophobic contact | Leu94 | Hydrophobic contact |
| Ala97 | Hydrophobic contact | Ala97 | Hydrophobic contact |
| Asp100 | Hydrophobic contact | Phe101 | Hydrophobic contact |
| Phe101 | Hydrophobic contact | Trp141 | Hydrophobic contact |
| Arg104 | Cation-π | Val145 | Hydrophobic contact |
| Val145 | Hydrophobic contact | Phe195 | Cátion-π |
| Phe195 | Hydrophobic contact | Tyr199 | π-stacking |
| Tyr199 | Hydrogen Bond | ||
| Pro201 | Hydrophobic contact | ||
| Fluphenazine | |||
| Ala97 | Hydrophobic contact | Gln96 | Hydrophobic contact |
| Asp100 | Hydrophobic contact | Ala97 | Hydrophobic contact |
| Phe101 | Hydrophobic contact | Asp100 | Hydrophobic contact |
| Arg104 | Cátion-π | Phe101 | Hydrophobic contact |
| Tyr105 | Hydrophobic contact | Arg104 | Hydrophobic contact |
| Gly142 | Hydrogen Bond | Val145 | Hydrophobic contact |
| Phe195 | Hydrophobic contact | Pro201 | Hydrophobic contact |
| Tyr199 | π-stacking | Ser202 | Hydrogen Bond |
| Trifluoperazine | |||
| Leu94 | Hydrogen bond | Thr93 | Hydrophobic contact |
| Ala97 | Hydrogen bond | Leu94 | Hydrophobic contact |
| Asp100 | Salt bridge | Gln96 | Hydrophobic contact |
| Phe101 | Hydrophobic contact | Ala97 | Hydrophobic contact |
| Arg104 | Hydrophobic contact | Phe101 | Hydrophobic contact |
| Trp141 | Hydrophobic contact | Arg104 | Hydrophobic contact |
| Val145 | Hydrophobic contact | Trp141 | Hydrophobic contact |
| Phe195 | π-stacking | Val145 | Hydrophobic contact |
| Tyr199 | Hydrogen Bond | Phe195 | Hydrophobic contact |
| Tyr199 | Hydrophobic contact | ||
| Thioridazine | |||
| Thr93 | Hydrophobic contact | Gln96 | Hydrophobic contact |
| Gln96 | Hydrophobic contact | Ala97 | Hydrophobic contact |
| Ala97 | Hydrophobic contact | Asp100 | Hydrophobic contact |
| Asp100 | Hydrophobic contact | Arg104 | Hydrophobic contact |
| Trp141 | Hydrophobic contact | Val145 | Hydrophobic contact |
| Gly142 | Hydrophobic contact | Phe195 | Hydrophobic contact |
| Val145 | Hydrophobic contact | Tyr199 | Hydrophobic contact |
| Phe195 | Hydrophobic contact | Pro201 | Hydrophobic contact |
| Tyr199 | π-stacking and hydrogen Bond | ||