Table 1 Docking scores and binding free energy estimation with all 14–3-3 family members
From: Structure-based assessment and network analysis of targeting 14-3-3 proteins in prostate cancer
Protein | Drug | MMGBSA ΔG Bind |
|---|---|---|
SFN | Docetaxel | −50.995 |
SFN | BV02 | −47.767 |
SFN | BV02_9 | −37.437 |
SFN | Enzalutamide | −35.406 |
SFN | Corannulene | −27.451 |
SFN | MK2206 | −25.558 |
YHWAQ | Docetaxel | −49.609 |
YHWAQ | MK2206 | −44.319 |
YHWAQ | BV02 | −41.003 |
YHWAQ | Enzalutamide | −36.277 |
YHWAQ | BV02_9 | −28.979 |
YHWAQ | Corannulene | −26.181 |
YWHAB | Docetaxel | −44.997 |
YWHAB | MK2206 | −35.065 |
YWHAB | Enzalutamide | −33.543 |
YWHAB | BV02 | −26.734 |
YWHAB | BV02_9 | −25.072 |
YWHAB | Corannulene | −21.792 |
YWHAE | Docetaxel | −60.766 |
YWHAE | BV02 | −52.966 |
YWHAE | MK2206 | −44.228 |
YWHAE | Enzalutamide | −44.112 |
YWHAE | BV02_9 | −39.695 |
YWHAE | Corannulene | −17.976 |
YWHAG | Docetaxel | −61.867 |
YWHAG | Enzalutamide | −40.822 |
YWHAG | MK2206 | −37.603 |
YWHAG | BV02_9 | −35.213 |
YWHAG | BV02 | −32.296 |
YWHAG | Corannulene | −25.861 |
YWHAH | Docetaxel | −53.17 |
YWHAH | BV02 | −52.878 |
YWHAH | BV02_9 | −35.691 |
YWHAH | Corannulene | −29.735 |
YWHAH | MK2206 | −28.84 |
YWHAH | Enzalutamide | −26.734 |
YWHAZ | Docetaxel | −62.634 |
YWHAZ | BV02 | −43.919 |
YWHAZ | Enzalutamide | −39.064 |
YWHAZ | BV02_9 | −37.594 |
YWHAZ | MK2206 | −32.715 |
YWHAZ | Corannulene | −23.241 |