Integration of Different “-omics” Technologies Identifies Inhibition of the IGF1R-Akt-mTOR Signaling Cascade Involved in the Cytotoxic Effect of Shikonin against Leukemia Cells

Table 2

Calculation of binding energies of shikonin and key proteins of the IGF1R-Akt-mTOR signaling pathway. Virtual screening was performed using the AutoDock Vina software.

Symbol	Description	Binding energy [kcal/mol]
EGFR	Epidermal growth factor receptor	−8.8
SGK1	Serine/threonine-protein kinase Sgk1	−8.8
IGF1R	Insulin-like growth factor 1 receptor	−8.6
GSK3B	Glycogen synthase kinase-3 beta	−8.5
4E-BP1	Eukaryotic translation initiation factor 4E-binding protein 1	−8.5
S6K1	Ribosomal protein S6 kinase beta-1	−8.4
PKCA	Protein kinase C alpha type	−8.4
PIK3C3	Phosphatidylinositol 3-kinase catalytic subunit type 3	−8.3
PDK1	3-phosphoinositide-dependent protein kinase 1	−8.3
eIF4E	Eukaryotic translation initiation factor 4E	−8.3
RND3	Rho-related GTP-binding protein RhoE	−8.2
AKT2	RAC-beta serine/threonine-protein kinase	−8.1
RSK1	Ribosomal protein S6 kinase alpha-1	−8.1
Rheb	GTP-binding protein Rheb	−7.9
AMPK2	5′-AMP-activated protein kinase catalytic subunit alpha-2	−7.9
RHOA	Transforming protein RhoA	−7.9
AKT1	RAC-alpha serine/threonine-protein kinase	−7.8
RRAGD	Ras-related GTP-binding protein D	−7.8
mTOR	Serine/threonine-protein kinase mTOR	−7.5
RHOC	Rho-related GTP-binding protein RhoC	−7.3
RHOB	Rho-related GTP-binding protein RhoB	−7.2
ERK1	Extracellular signal-regulated kinase 1	−7.1
RHOD	Rho-related GTP-binding protein RhoD	−6.9
IRS1	Insulin receptor substrate 1	−6.4
IKKB	Inhibitor of nuclear factor kappa-B kinase subunit beta	−5.1